N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine

C16H30N2 — CID 114099507

IUPACN-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine
SMILESCC1(CNC2CCCCC2C2CCCCN2)CC1
InChIInChI=1S/C16H30N2/c1-16(9-10-16)12-18-15-7-3-2-6-13(15)14-8-4-5-11-17-14/h13-15,17-18H,2-12H2,1H3
InChIKeyNAIBYPCIJCULOS-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.08
Rot. Bonds4

About N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine

N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine (PubChem CID 114099507) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine
PubChem CID114099507
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine
SMILESCC1(CNC2CCCCC2C2CCCCN2)CC1
InChIInChI=1S/C16H30N2/c1-16(9-10-16)12-18-15-7-3-2-6-13(15)14-8-4-5-11-17-14/h13-15,17-18H,2-12H2,1H3
InChIKeyNAIBYPCIJCULOS-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine (CID 114099507) is N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine is CC1(CNC2CCCCC2C2CCCCN2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine?
The InChIKey is NAIBYPCIJCULOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(9-10-16)12-18-15-7-3-2-6-13(15)14-8-4-5-11-17-14/h13-15,17-18H,2-12H2,1H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine?
N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-2-piperidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114099507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).