N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine

C16H32N2 — CID 78991088

IUPACN-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCNC1CCCCC1)C1CC1
InChIInChI=1S/C16H32N2/c1-14(2)10-12-18(16-8-9-16)13-11-17-15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyQPZBEPGWDNILAZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds8

About N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine

N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 78991088) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
PubChem CID78991088
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCNC1CCCCC1)C1CC1
InChIInChI=1S/C16H32N2/c1-14(2)10-12-18(16-8-9-16)13-11-17-15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyQPZBEPGWDNILAZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N'-cyclopropyl-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-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 55089565
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 104746796
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine (CID 78991088) is N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(CCNC1CCCCC1)C1CC1.
What is the InChIKey of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is QPZBEPGWDNILAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)10-12-18(16-8-9-16)13-11-17-15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine?
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 78991088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).