N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine

C72H155N7 — CID 158500294

IUPACN,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)C[C@H]1CC[C@@H](C(C)C)CN1.CC(C)[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N/c1-9(2)7-12-6-5-11(8-13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t11-,12-;;11-;;;;/m1.1..../s1
InChIKeyHJUOTWXLEIZIFI-XIDWGTKOSA-N
MW1119.08 g/mol
LogP18.12
Rot. Bonds19

About N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine

N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine (PubChem CID 158500294) has the molecular formula C72H155N7 and a molecular weight of 1119.08 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine
PubChem CID158500294
Molecular FormulaC72H155N7
Molecular Weight1119.08 g/mol
Exact Mass1118.23
IUPAC NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)C[C@H]1CC[C@@H](C(C)C)CN1.CC(C)[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N/c1-9(2)7-12-6-5-11(8-13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t11-,12-;;11-;;;;/m1.1..../s1
InChIKeyHJUOTWXLEIZIFI-XIDWGTKOSA-N
XLogP18.12
TPSA40.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.08
LogP ≤ 518.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine (CID 158500294) is N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)C[C@H]1CC[C@@H](C(C)C)CN1.CC(C)[C@@H]1CCCN(C(C)C)C1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine?
The InChIKey is HJUOTWXLEIZIFI-XIDWGTKOSA-N. The full InChI is InChI=1S/C12H25N.3C11H23N.C10H21N.C9H21N.C8H19N/c1-9(2)7-12-6-5-11(8-13-12)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t11-,12-;;11-;;;;/m1.1..../s1.
What are the key properties of N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine?
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine has a molecular weight of 1119.08 g/mol, XLogP of 18.12, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(2R,5S)-2-(2-methylpropyl)-5-propan-2-ylpiperidine is sourced from PubChem (CID 158500294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).