[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine

C15H31N3 — CID 114537628

IUPAC[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CC(C)N(C)C(C)C2)C1
InChIInChI=1S/C15H31N3/c1-5-14-6-7-15(8-14,11-16)18-9-12(2)17(4)13(3)10-18/h12-14H,5-11,16H2,1-4H3
InChIKeyJKVCPMVDCKYTRC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine

[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 114537628) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID114537628
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CC(C)N(C)C(C)C2)C1
InChIInChI=1S/C15H31N3/c1-5-14-6-7-15(8-14,11-16)18-9-12(2)17(4)13(3)10-18/h12-14H,5-11,16H2,1-4H3
InChIKeyJKVCPMVDCKYTRC-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-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 79188486
[1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-ethylcyclopentyl]methanamine
CID 114196334
[3-ethyl-1-(2-ethyl-5-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 83228240
1-[1-(aminomethyl)-3-ethylcyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 64501374
[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 102964836
[1-(2,4-dimethylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 64500735
[3-ethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392860
[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818266
[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
CID 114537563
[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 114537561
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethylcyclopentyl]methanamine
CID 64500933
[1-(2,4-dimethylpiperidin-1-yl)-4-ethylcycloheptyl]methanamine
CID 65088627

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine (CID 114537628) is [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine is CCC1CCC(CN)(N2CC(C)N(C)C(C)C2)C1.
What is the InChIKey of [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is JKVCPMVDCKYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-14-6-7-15(8-14,11-16)18-9-12(2)17(4)13(3)10-18/h12-14H,5-11,16H2,1-4H3.
What are the key properties of [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]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 [3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 114537628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).