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

C17H34N2 — CID 63502047

IUPACN'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)C2CCCCC2C)CC1
InChIInChI=1S/C17H34N2/c1-14-8-10-16(11-9-14)18-12-13-19(3)17-7-5-4-6-15(17)2/h14-18H,4-13H2,1-3H3
InChIKeyOMCQBLJYUVZMNJ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

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

N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63502047) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63502047
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)C2CCCCC2C)CC1
InChIInChI=1S/C17H34N2/c1-14-8-10-16(11-9-14)18-12-13-19(3)17-7-5-4-6-15(17)2/h14-18H,4-13H2,1-3H3
InChIKeyOMCQBLJYUVZMNJ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034
N-(1-cyclopropylethyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 55089114
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
CID 62461166
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
3-N-methyl-3-N-(2-methylcyclohexyl)-1-N-propylcyclopentane-1,3-diamine
CID 79642486
N-cyclopropyl-N'-methyl-N'-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diamine
CID 103070072
2-[3-(cyclopropylamino)propyl-methylamino]cyclohexan-1-ol
CID 102636193
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 63502047) is N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine is CC1CCC(NCCN(C)C2CCCCC2C)CC1.
What is the InChIKey of N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is OMCQBLJYUVZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14-8-10-16(11-9-14)18-12-13-19(3)17-7-5-4-6-15(17)2/h14-18H,4-13H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-methyl-N'-(2-methylcyclohexyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 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-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63502047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).