N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C16H33N3 — CID 62561053

IUPACN'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)C2CCCN(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-14-6-8-15(9-7-14)17-10-12-19(3)16-5-4-11-18(2)13-16/h14-17H,4-13H2,1-3H3
InChIKeyVEKALYRRRJBYIA-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 62561053) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID62561053
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)C2CCCN(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-14-6-8-15(9-7-14)17-10-12-19(3)16-5-4-11-18(2)13-16/h14-17H,4-13H2,1-3H3
InChIKeyVEKALYRRRJBYIA-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 115207045
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 62561053) is N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is CC1CCC(NCCN(C)C2CCCN(C)C2)CC1.
What is the InChIKey of N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is VEKALYRRRJBYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14-6-8-15(9-7-14)17-10-12-19(3)16-5-4-11-18(2)13-16/h14-17H,4-13H2,1-3H3.
What are the key properties of N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).