[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine

C15H31N3 — CID 104678921

IUPAC[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
SMILESCC1CN(CCC2(CN)CCCCC2)CCN1C
InChIInChI=1S/C15H31N3/c1-14-12-18(11-10-17(14)2)9-8-15(13-16)6-4-3-5-7-15/h14H,3-13,16H2,1-2H3
InChIKeyXUYFRSIVZXPXBC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds4

About [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine

[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine (PubChem CID 104678921) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
PubChem CID104678921
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
SMILESCC1CN(CCC2(CN)CCCCC2)CCN1C
InChIInChI=1S/C15H31N3/c1-14-12-18(11-10-17(14)2)9-8-15(13-16)6-4-3-5-7-15/h14H,3-13,16H2,1-2H3
InChIKeyXUYFRSIVZXPXBC-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

Analyze [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
CID 81171364
[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
CID 113440220
4-[[1-(bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740705
[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678907
[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
CID 81170479
[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]cyclohexyl]methanamine
CID 104678904
2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine
CID 81170715
[1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]cyclohexyl]methanamine
CID 102744422
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65246838

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine (CID 104678921) is [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine is CC1CN(CCC2(CN)CCCCC2)CCN1C.
What is the InChIKey of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is XUYFRSIVZXPXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14-12-18(11-10-17(14)2)9-8-15(13-16)6-4-3-5-7-15/h14H,3-13,16H2,1-2H3.
What are the key properties of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine 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-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 104678921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).