N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine

C17H28N2 — CID 62573288

IUPACN-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15-8-10-16(11-9-15)14-19(2)13-12-18-17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyXOUIAGLVUPXYEK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.35
Rot. Bonds6

About N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine

N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62573288) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID62573288
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)CCNC2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-15-8-10-16(11-9-15)14-19(2)13-12-18-17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-14H2,1-2H3
InChIKeyXOUIAGLVUPXYEK-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]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-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79310631
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
N-cyclopropyl-N'-methyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670235
1-N-cyclopentyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62558539
N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560432
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 62573288) is N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)CCNC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is XOUIAGLVUPXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-8-10-16(11-9-15)14-19(2)13-12-18-17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.35, 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'-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62573288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).