4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine

C16H32N2 — CID 114100511

IUPAC4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine
SMILESCC1CCCC(NCCCC2CCCNC2)CC1
InChIInChI=1S/C16H32N2/c1-14-5-2-8-16(10-9-14)18-12-4-7-15-6-3-11-17-13-15/h14-18H,2-13H2,1H3
InChIKeyRSPNVKZABCXKTD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.32
Rot. Bonds5

About 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine

4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine (PubChem CID 114100511) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine
PubChem CID114100511
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine
SMILESCC1CCCC(NCCCC2CCCNC2)CC1
InChIInChI=1S/C16H32N2/c1-14-5-2-8-16(10-9-14)18-12-4-7-15-6-3-11-17-13-15/h14-18H,2-13H2,1H3
InChIKeyRSPNVKZABCXKTD-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
N-(2-piperidin-3-ylethyl)cycloheptanamine
CID 62675109
N-(3-piperidin-4-ylpropyl)cyclobutanamine
CID 62415783
(3S)-3-heptylpiperidine
CID 155456188
2-methyl-N-(2-piperidin-3-ylethyl)cyclopropan-1-amine
CID 62674400
N-[(4-methylcyclohexyl)methyl]piperidin-3-amine
CID 63243171
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 71636554
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
3-[2-(3-methylcyclohexyl)oxyethyl]piperidine
CID 62355843
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine (CID 114100511) is 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine is CC1CCCC(NCCCC2CCCNC2)CC1.
What is the InChIKey of 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine?
The InChIKey is RSPNVKZABCXKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-5-2-8-16(10-9-14)18-12-4-7-15-6-3-11-17-13-15/h14-18H,2-13H2,1H3.
What are the key properties of 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine?
4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 114100511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).