[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine

C15H31N3 — CID 64745247

IUPAC[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
SMILESCCN1CCN(C2(CN)CCC(C)C(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-17-7-9-18(10-8-17)15(12-16)6-5-13(2)14(3)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeyJACWXISGJFQUNI-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds3

About [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine

[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine (PubChem CID 64745247) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
PubChem CID64745247
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
SMILESCCN1CCN(C2(CN)CCC(C)C(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-17-7-9-18(10-8-17)15(12-16)6-5-13(2)14(3)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeyJACWXISGJFQUNI-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107448927
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872129
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179
[1-(7,7-dimethyl-1,4-thiazepan-4-yl)-3,4-dimethylcyclohexyl]methanamine
CID 107453837
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250
[1-(2-ethyl-5-methylpyrrolidin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 83226884
[3,4-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64746034
[3-(4-ethylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 24697068
[3,4-dimethyl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 64745449
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792
[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199459

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine (CID 64745247) is [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine is CCN1CCN(C2(CN)CCC(C)C(C)C2)CC1.
What is the InChIKey of [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
The InChIKey is JACWXISGJFQUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-17-7-9-18(10-8-17)15(12-16)6-5-13(2)14(3)11-15/h13-14H,4-12,16H2,1-3H3.
What are the key properties of [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine?
[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 64745247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).