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

C17H34N2 — CID 63501893

IUPACN'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)CC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-15-8-10-17(11-9-15)18-12-13-19(2)14-16-6-4-3-5-7-16/h15-18H,3-14H2,1-2H3
InChIKeyXSSITDOECZENBF-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

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

N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63501893) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63501893
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)CC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-15-8-10-17(11-9-15)18-12-13-19(2)14-16-6-4-3-5-7-16/h15-18H,3-14H2,1-2H3
InChIKeyXSSITDOECZENBF-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63707526
N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 115207045
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 55089565
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-(cyclopropylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63938742
N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63502047

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 63501893) is N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is CC1CCC(NCCN(C)CC2CCCCC2)CC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is XSSITDOECZENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15-8-10-17(11-9-15)18-12-13-19(2)14-16-6-4-3-5-7-16/h15-18H,3-14H2,1-2H3.
What are the key properties of N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63501893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).