N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine

C13H29N3 — CID 80705611

IUPACN'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C13H29N3/c1-12(2)6-7-13(10-12,11-14)16(5)9-8-15(3)4/h6-11,14H2,1-5H3
InChIKeyNLLXFRHGEOPWHH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds5

About N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 80705611) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID80705611
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C13H29N3/c1-12(2)6-7-13(10-12,11-14)16(5)9-8-15(3)4/h6-11,14H2,1-5H3
InChIKeyNLLXFRHGEOPWHH-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine 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

1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693232
N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65088625
1-(aminomethyl)-N,4,4-trimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 79850059
3-(aminomethyl)-N,5,5-trimethyl-N-propylthian-3-amine
CID 79958584
1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 80705046
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 80705336
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 80706158
1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 80705437
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 112682313

Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine (CID 80705611) is N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1(CN)CCC(C)(C)C1.
What is the InChIKey of N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is NLLXFRHGEOPWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)6-7-13(10-12,11-14)16(5)9-8-15(3)4/h6-11,14H2,1-5H3.
What are the key properties of N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 80705611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).