N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine

C16H33N3 — CID 106662949

IUPACN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine
SMILESCC1CC(C)(C)CC1(CN)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H33N3/c1-13-10-15(2,3)11-16(13,12-17)19(5)14-6-8-18(4)9-7-14/h13-14H,6-12,17H2,1-5H3
InChIKeyOXHHKIXWWLXZGF-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds3

About N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine

N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 106662949) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine
PubChem CID106662949
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine
SMILESCC1CC(C)(C)CC1(CN)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H33N3/c1-13-10-15(2,3)11-16(13,12-17)19(5)14-6-8-18(4)9-7-14/h13-14H,6-12,17H2,1-5H3
InChIKeyOXHHKIXWWLXZGF-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine (CID 106662949) is N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine is CC1CC(C)(C)CC1(CN)N(C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is OXHHKIXWWLXZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13-10-15(2,3)11-16(13,12-17)19(5)14-6-8-18(4)9-7-14/h13-14H,6-12,17H2,1-5H3.
What are the key properties of N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine?
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 106662949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).