N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine

C18H36N2 — CID 104746796

IUPACN',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCNC(CN(CCC(C)C)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H36N2/c1-15(2)12-13-20(17-10-6-7-11-17)14-18(19-3)16-8-4-5-9-16/h15-19H,4-14H2,1-3H3
InChIKeySQVSLOGOCPSQKH-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds8

About N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine

N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 104746796) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
PubChem CID104746796
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCNC(CN(CCC(C)C)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H36N2/c1-15(2)12-13-20(17-10-6-7-11-17)14-18(19-3)16-8-4-5-9-16/h15-19H,4-14H2,1-3H3
InChIKeySQVSLOGOCPSQKH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-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

N'-butyl-1-cyclopentyl-N'-cyclopropyl-N-methylethane-1,2-diamine
CID 104745297
N'-cyclohexyl-1-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63912104
3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746803
N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63913422
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
N',N'-dicyclohexyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63915367
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N'-cycloheptyl-1-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 63914736

Frequently Asked Questions

What is the IUPAC name of N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (CID 104746796) is N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is CNC(CN(CCC(C)C)C1CCCC1)C1CCCC1.
What is the InChIKey of N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is SQVSLOGOCPSQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)12-13-20(17-10-6-7-11-17)14-18(19-3)16-8-4-5-9-16/h15-19H,4-14H2,1-3H3.
What are the key properties of N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 104746796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).