N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine

C16H32N2 — CID 114094809

IUPACN-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCC1(C)CCCCC1
InChIInChI=1S/C16H32N2/c1-14(12-15-8-4-7-11-17-15)18-13-16(2)9-5-3-6-10-16/h14-15,17-18H,3-13H2,1-2H3
InChIKeySNHZLHFMALSRLB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.47
Rot. Bonds5

About N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine

N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 114094809) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID114094809
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCC1(C)CCCCC1
InChIInChI=1S/C16H32N2/c1-14(12-15-8-4-7-11-17-15)18-13-16(2)9-5-3-6-10-16/h14-15,17-18H,3-13H2,1-2H3
InChIKeySNHZLHFMALSRLB-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(azepan-2-yl)propan-2-ylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79541195
1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 79539855
N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine
CID 105414670
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
[1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358900
N-[1-(azepan-2-yl)propan-2-yl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79560325
1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759811
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
2,2,3,3-tetramethyl-N-(1-piperidin-2-ylpropan-2-yl)cyclopropan-1-amine
CID 79539151
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine (CID 114094809) is N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NCC1(C)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is SNHZLHFMALSRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(12-15-8-4-7-11-17-15)18-13-16(2)9-5-3-6-10-16/h14-15,17-18H,3-13H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine?
N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 114094809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).