N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline

C18H30N2 — CID 79857922

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CCCC1(C)C
InChIInChI=1S/C18H30N2/c1-4-5-14-20(16-10-7-6-8-11-16)18(15-19)13-9-12-17(18,2)3/h6-8,10-11H,4-5,9,12-15,19H2,1-3H3
InChIKeyNJGYDOBMCSSPGR-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds6

About N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline

N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline (PubChem CID 79857922) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline
PubChem CID79857922
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline
SMILESCCCCN(c1ccccc1)C1(CN)CCCC1(C)C
InChIInChI=1S/C18H30N2/c1-4-5-14-20(16-10-7-6-8-11-16)18(15-19)13-9-12-17(18,2)3/h6-8,10-11H,4-5,9,12-15,19H2,1-3H3
InChIKeyNJGYDOBMCSSPGR-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline 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-[1-(aminomethyl)-2-ethylcyclohexyl]-N-butylaniline
CID 64585380
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
CID 64753254
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
CID 64754111
3-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylthian-3-amine
CID 79948464
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-butylaniline
CID 64585628
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
CID 65088557
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide
CID 80599044
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 79848165
N-[(2-amino-1-methylcyclopentyl)methyl]-N-butylaniline
CID 82768214
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline
CID 79847909
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline (CID 79857922) is N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline is CCCCN(c1ccccc1)C1(CN)CCCC1(C)C.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline?
The InChIKey is NJGYDOBMCSSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-14-20(16-10-7-6-8-11-16)18(15-19)13-9-12-17(18,2)3/h6-8,10-11H,4-5,9,12-15,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline?
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline is sourced from PubChem (CID 79857922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).