N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine

C12H26N2 — CID 62070003

IUPACN-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)C1CCCC1
InChIInChI=1S/C12H26N2/c1-3-4-9-14(2)12(10-13)11-7-5-6-8-11/h11-12H,3-10,13H2,1-2H3
InChIKeyKVRRFXYYJQIXFC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine

N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine (PubChem CID 62070003) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
PubChem CID62070003
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)C1CCCC1
InChIInChI=1S/C12H26N2/c1-3-4-9-14(2)12(10-13)11-7-5-6-8-11/h11-12H,3-10,13H2,1-2H3
InChIKeyKVRRFXYYJQIXFC-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-1-cyclopentyl-N-methylethane-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-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
CID 62071758
1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81058894
1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55034811
4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
CID 116653004
1-[4-[1-[butyl(methyl)amino]butyl]cyclohexyl]-N-methyl-N-propylpentan-1-amine
CID 118885088
1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine
CID 107008079
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206854
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
CID 116653118
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine?
The IUPAC name of N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine (CID 62070003) is N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine is CCCCN(C)C(CN)C1CCCC1.
What is the InChIKey of N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine?
The InChIKey is KVRRFXYYJQIXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-9-14(2)12(10-13)11-7-5-6-8-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine?
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 62070003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).