1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine

C12H26N2O — CID 114547587

IUPAC1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine
SMILESCOCCC(N)CNC1CCC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-12(2)6-4-11(8-12)14-9-10(13)5-7-15-3/h10-11,14H,4-9,13H2,1-3H3
InChIKeyAXBIWPJHVBFUCM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.52
Rot. Bonds6

About 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine

1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine (PubChem CID 114547587) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine
PubChem CID114547587
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine
SMILESCOCCC(N)CNC1CCC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-12(2)6-4-11(8-12)14-9-10(13)5-7-15-3/h10-11,14H,4-9,13H2,1-3H3
InChIKeyAXBIWPJHVBFUCM-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-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-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
CID 114547491
1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 114545948
N-(1-methoxypentan-2-yl)-3,3-dimethylcyclopentan-1-amine
CID 80706336
2-N-(3,3-dimethylcyclopentyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 114544958
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
1-N-(2,2-dimethylcyclopropyl)-3-methoxypropane-1,2-diamine
CID 81101278
1-N-cyclohexyl-3-methoxypropane-1,2-diamine
CID 81101146
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104
2-[2-[(3,3-dimethylcyclopentyl)amino]ethoxy]ethanol
CID 80692164
1-N-(1-cyclopropylpyrrolidin-3-yl)-5-methoxypentane-1,2-diamine
CID 81102513
3,3-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 80705127
3,3-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 80692361

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine?
The IUPAC name of 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine (CID 114547587) is 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine.
What is the SMILES notation for 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine?
The canonical SMILES for 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine is COCCC(N)CNC1CCC(C)(C)C1.
What is the InChIKey of 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine?
The InChIKey is AXBIWPJHVBFUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)6-4-11(8-12)14-9-10(13)5-7-15-3/h10-11,14H,4-9,13H2,1-3H3.
What are the key properties of 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine?
1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine is sourced from PubChem (CID 114547587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).