[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine

C15H31N3 — CID 113440220

IUPAC[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
SMILESCCN1CCN(CCC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-17-10-12-18(13-11-17)9-8-15(14-16)6-4-3-5-7-15/h2-14,16H2,1H3
InChIKeyAMQZHZOPEUABAP-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds5

About [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine

[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine (PubChem CID 113440220) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
PubChem CID113440220
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
SMILESCCN1CCN(CCC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-17-10-12-18(13-11-17)9-8-15(14-16)6-4-3-5-7-15/h2-14,16H2,1H3
InChIKeyAMQZHZOPEUABAP-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

[1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]cyclohexyl]methanamine
CID 104678904
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678921
[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclobutyl]methanamine
CID 81170703
[1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]cyclohexyl]methanamine
CID 102744422
[1-[2-(4-ethoxypiperidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81169483
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
CID 81171364
[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678907
(1-pentylcyclopentyl)methanamine
CID 62725889
[1-[2-(2-ethylpiperidin-1-yl)ethyl]cyclohexyl]methanamine
CID 113440222
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
CID 104678682

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine (CID 113440220) is [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine is CCN1CCN(CCC2(CN)CCCCC2)CC1.
What is the InChIKey of [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is AMQZHZOPEUABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-2-17-10-12-18(13-11-17)9-8-15(14-16)6-4-3-5-7-15/h2-14,16H2,1H3.
What are the key properties of [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine?
[1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 113440220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).