bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine

C136H272N18O10 — CID 159760806

IUPACbis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine
SMILESCC(C)N1C(C)CCC1C.CC(C)N1CCC(O)C1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCCC1C.CC(C)N1CCCC1C.CC(C)N1CCCC1CN1CCCC1.CC(C)N1CCCC1CO.CC(C)N1CCCC1NC=O.CC(C)N1CCCC1c1ccccn1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CCC(C)C.CCC1CCCN1C(C)C.CCC1CCN(C(C)C)C1.COC(=O)C1CCN(C(C)C)C1.O=C=O.O=C=O
InChIInChI=1S/C12H24N2.C12H18N2.C9H17NO2.3C9H19N.C8H16N2O.C8H17NO.4C8H17N.C7H15NO.C7H13NO.C7H15N.C5H12.2CO2/c1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-9-5-7-12(14)11-6-3-4-8-13-11;1-7(2)10-5-4-8(6-10)9(11)12-3;1-7(2)10-8(3)5-6-9(10)4;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-3-4-8(10)9-6-11;1-7(2)9-5-3-4-8(9)6-10;2*1-7(2)9-5-4-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;1-6(2)8-4-3-7(9)5-8;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;1-4-5(2)3;2*2-1-3/h11-12H,3-10H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3,(H,9,11);7-8,10H,3-6H2,1-2H3;4*7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5H,4H2,1-3H3;;
InChIKeyNEVUVLVMXWHIHO-UHFFFAOYSA-N
MW2319.79 g/mol
LogP24.64
Rot. Bonds25

About bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine

bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine (PubChem CID 159760806) has the molecular formula C136H272N18O10 and a molecular weight of 2319.79 g/mol. Its IUPAC name is bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Namebis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine
PubChem CID159760806
Molecular FormulaC136H272N18O10
Molecular Weight2319.79 g/mol
Exact Mass2318.13
IUPAC Namebis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine
SMILESCC(C)N1C(C)CCC1C.CC(C)N1CCC(O)C1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCCC1C.CC(C)N1CCCC1C.CC(C)N1CCCC1CN1CCCC1.CC(C)N1CCCC1CO.CC(C)N1CCCC1NC=O.CC(C)N1CCCC1c1ccccn1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CCC(C)C.CCC1CCCN1C(C)C.CCC1CCN(C(C)C)C1.COC(=O)C1CCN(C(C)C)C1.O=C=O.O=C=O
InChIInChI=1S/C12H24N2.C12H18N2.C9H17NO2.3C9H19N.C8H16N2O.C8H17NO.4C8H17N.C7H15NO.C7H13NO.C7H15N.C5H12.2CO2/c1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-9-5-7-12(14)11-6-3-4-8-13-11;1-7(2)10-5-4-8(6-10)9(11)12-3;1-7(2)10-8(3)5-6-9(10)4;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-3-4-8(10)9-6-11;1-7(2)9-5-3-4-8(9)6-10;2*1-7(2)9-5-4-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;1-6(2)8-4-3-7(9)5-8;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;1-4-5(2)3;2*2-1-3/h11-12H,3-10H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3,(H,9,11);7-8,10H,3-6H2,1-2H3;4*7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5H,4H2,1-3H3;;
InChIKeyNEVUVLVMXWHIHO-UHFFFAOYSA-N
XLogP24.64
TPSA245.94 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002319.79
LogP ≤ 524.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
The IUPAC name of bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine (CID 159760806) is bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
The canonical SMILES for bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine is CC(C)N1C(C)CCC1C.CC(C)N1CCC(O)C1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCCC1C.CC(C)N1CCCC1C.CC(C)N1CCCC1CN1CCCC1.CC(C)N1CCCC1CO.CC(C)N1CCCC1NC=O.CC(C)N1CCCC1c1ccccn1.CC1CCN(C(C)C)C1.CC1CCN(C(C)C)C1.CCC(C)C.CCC1CCCN1C(C)C.CCC1CCN(C(C)C)C1.COC(=O)C1CCN(C(C)C)C1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
The InChIKey is NEVUVLVMXWHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C12H18N2.C9H17NO2.3C9H19N.C8H16N2O.C8H17NO.4C8H17N.C7H15NO.C7H13NO.C7H15N.C5H12.2CO2/c1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-10(2)14-9-5-7-12(14)11-6-3-4-8-13-11;1-7(2)10-5-4-8(6-10)9(11)12-3;1-7(2)10-8(3)5-6-9(10)4;1-4-9-5-6-10(7-9)8(2)3;1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-3-4-8(10)9-6-11;1-7(2)9-5-3-4-8(9)6-10;2*1-7(2)9-5-4-8(3)6-9;2*1-7(2)9-6-4-5-8(9)3;1-6(2)8-4-3-7(9)5-8;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;1-4-5(2)3;2*2-1-3/h11-12H,3-10H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3,(H,9,11);7-8,10H,3-6H2,1-2H3;4*7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;5H,4H2,1-3H3;;.
What are the key properties of bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine?
bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine has a molecular weight of 2319.79 g/mol, XLogP of 24.64, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);2,5-dimethyl-1-propan-2-ylpyrrolidine;2-ethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylpyrrolidine;2-methylbutane;bis(2-methyl-1-propan-2-ylpyrrolidine);bis(3-methyl-1-propan-2-ylpyrrolidine);methyl 1-propan-2-ylpyrrolidine-3-carboxylate;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-ylpyrrolidin-2-one;N-(1-propan-2-ylpyrrolidin-2-yl)formamide;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 159760806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).