[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine

C15H31N3 — CID 65085186

IUPAC[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCCN1CCN(C2(CN)CCCC(C)CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-17-9-11-18(12-10-17)15(13-16)7-4-5-14(2)6-8-15/h14H,3-13,16H2,1-2H3
InChIKeyVTTQPWRPONVXAZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine

[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine (PubChem CID 65085186) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
PubChem CID65085186
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCCN1CCN(C2(CN)CCCC(C)CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-17-9-11-18(12-10-17)15(13-16)7-4-5-14(2)6-8-15/h14H,3-13,16H2,1-2H3
InChIKeyVTTQPWRPONVXAZ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 64745247
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107448927
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872129
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335
[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine
CID 62775189

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine?
The IUPAC name of [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine (CID 65085186) is [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine.
What is the SMILES notation for [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine?
The canonical SMILES for [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine is CCN1CCN(C2(CN)CCCC(C)CC2)CC1.
What is the InChIKey of [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine?
The InChIKey is VTTQPWRPONVXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-17-9-11-18(12-10-17)15(13-16)7-4-5-14(2)6-8-15/h14H,3-13,16H2,1-2H3.
What are the key properties of [1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine?
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 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)-4-methylcycloheptyl]methanamine is sourced from PubChem (CID 65085186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).