4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine

C12H26N2 — CID 166734994

IUPAC4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine
SMILESCNC(C)C(C(C)N)C1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-8-5-6-11(7-8)12(9(2)13)10(3)14-4/h8-12,14H,5-7,13H2,1-4H3
InChIKeyXXAZAQYMNWHVBM-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.99
Rot. Bonds4

About 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine

4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine (PubChem CID 166734994) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine
PubChem CID166734994
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine
SMILESCNC(C)C(C(C)N)C1CCC(C)C1
InChIInChI=1S/C12H26N2/c1-8-5-6-11(7-8)12(9(2)13)10(3)14-4/h8-12,14H,5-7,13H2,1-4H3
InChIKeyXXAZAQYMNWHVBM-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-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

2-N-methyl-3-(3-methylcyclopentyl)hexane-2,5-diamine
CID 166735065
1-(3,5-dimethylcycloheptyl)propan-1-amine
CID 145017744
[2-methyl-1-(3-methylcyclopentyl)propyl]hydrazine
CID 105233167
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
(1R)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 94033456
1-(3-methylcyclopentyl)ethanol
CID 12501270
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
[[azanidyl(methyl)amino]-[1-(3-methylcyclopentyl)ethyl]amino]azanide
CID 163709035
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423221
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine?
The IUPAC name of 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine (CID 166734994) is 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine.
What is the SMILES notation for 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine?
The canonical SMILES for 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine is CNC(C)C(C(C)N)C1CCC(C)C1.
What is the InChIKey of 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine?
The InChIKey is XXAZAQYMNWHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-8-5-6-11(7-8)12(9(2)13)10(3)14-4/h8-12,14H,5-7,13H2,1-4H3.
What are the key properties of 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine?
4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-(3-methylcyclopentyl)pentane-2,4-diamine is sourced from PubChem (CID 166734994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).