ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C63H144N4 — CID 159619971

IUPACethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/2C9H19N.C9H18.C8H17N.C8H16.C7H15N.6C2H6.CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;6*1-2;/h2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6*1-2H3;1H4
InChIKeyMNTRRHMDUKEWCQ-UHFFFAOYSA-N
MW957.87 g/mol
LogP20.19
Rot. Bonds6

About ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 159619971) has the molecular formula C63H144N4 and a molecular weight of 957.87 g/mol. Its IUPAC name is ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID159619971
Molecular FormulaC63H144N4
Molecular Weight957.87 g/mol
Exact Mass957.14
IUPAC Nameethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/2C9H19N.C9H18.C8H17N.C8H16.C7H15N.6C2H6.CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;6*1-2;/h2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6*1-2H3;1H4
InChIKeyMNTRRHMDUKEWCQ-UHFFFAOYSA-N
XLogP20.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.87
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 159619971) is ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.CC.CC.CC.CC.CC.CC.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.
What is the InChIKey of ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is MNTRRHMDUKEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C9H18.C8H17N.C8H16.C7H15N.6C2H6.CH4/c1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;6*1-2;/h2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6*1-2H3;1H4.
What are the key properties of ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 957.87 g/mol, XLogP of 20.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159619971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).