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

C16H26N2 — CID 61308548

IUPACN'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(N)CN(C)C2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-13-7-6-8-14(11-13)16(17)12-18(2)15-9-4-3-5-10-15/h6-8,11,15-16H,3-5,9-10,12,17H2,1-2H3
InChIKeyVKWDETGKISBRKG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.26
Rot. Bonds4

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

N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61308548) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61308548
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(N)CN(C)C2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-13-7-6-8-14(11-13)16(17)12-18(2)15-9-4-3-5-10-15/h6-8,11,15-16H,3-5,9-10,12,17H2,1-2H3
InChIKeyVKWDETGKISBRKG-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)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'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methylethane-1,2-diamine
CID 43267145
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine (CID 61308548) is N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(C(N)CN(C)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is VKWDETGKISBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-6-8-14(11-13)16(17)12-18(2)15-9-4-3-5-10-15/h6-8,11,15-16H,3-5,9-10,12,17H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61308548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).