N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine

C17H28N2 — CID 62555727

IUPACN'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(C)CCNC2CCCCC2C)cc1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(3)13-12-18-17-7-5-4-6-15(17)2/h8-11,15,17-18H,4-7,12-13H2,1-3H3
InChIKeyHUWGERGZHLCBIE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds5

About N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine

N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 62555727) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID62555727
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(C)CCNC2CCCCC2C)cc1
InChIInChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(3)13-12-18-17-7-5-4-6-15(17)2/h8-11,15,17-18H,4-7,12-13H2,1-3H3
InChIKeyHUWGERGZHLCBIE-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63502730
N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55197401
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
2-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 55062515
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494171
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62555461
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine (CID 62555727) is N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(C)CCNC2CCCCC2C)cc1.
What is the InChIKey of N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HUWGERGZHLCBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-10-16(11-9-14)19(3)13-12-18-17-7-5-4-6-15(17)2/h8-11,15,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62555727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).