N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 62575849

IUPACN-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CCNC1CCCCC1
InChIInChI=1S/C14H30N2/c1-12(2)13(3)16(4)11-10-15-14-8-6-5-7-9-14/h12-15H,5-11H2,1-4H3
InChIKeyMQRIEZQNGXXNGR-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine

N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62575849) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62575849
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCC(C)C(C)N(C)CCNC1CCCCC1
InChIInChI=1S/C14H30N2/c1-12(2)13(3)16(4)11-10-15-14-8-6-5-7-9-14/h12-15H,5-11H2,1-4H3
InChIKeyMQRIEZQNGXXNGR-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)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-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclopentyl-N'-(1-cyclopropylethyl)-N'-methylethane-1,2-diamine
CID 60849992
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62573668
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62568594
1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine
CID 67932845
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
N-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62575675
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 62575849) is N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is CC(C)C(C)N(C)CCNC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is MQRIEZQNGXXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)13(3)16(4)11-10-15-14-8-6-5-7-9-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine?
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62575849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).