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

C15H31N3 — CID 104744436

IUPAC1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CC(N)C2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h13-15H,3-12,16H2,1-2H3
InChIKeyURHRJLXQGXYFHK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds4

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

1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 104744436) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID104744436
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CC(N)C2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h13-15H,3-12,16H2,1-2H3
InChIKeyURHRJLXQGXYFHK-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-1-cyclopropyl-N'-methylethane-1,2-diamine
CID 63914724
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744435
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 104744436) is 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(N(C)CC(N)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is URHRJLXQGXYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 104744436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).