[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine

C15H31N3 — CID 64500744

IUPAC[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine
SMILESCCC(C)N1CCN(C2(CN)CCC(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-14(3)17-7-9-18(10-8-17)15(12-16)6-5-13(2)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeyNHLISFHBRGFQJM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds4

About [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine

[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine (PubChem CID 64500744) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine
PubChem CID64500744
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine
SMILESCCC(C)N1CCN(C2(CN)CCC(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-14(3)17-7-9-18(10-8-17)15(12-16)6-5-13(2)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeyNHLISFHBRGFQJM-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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine (CID 64500744) is [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine is CCC(C)N1CCN(C2(CN)CCC(C)C2)CC1.
What is the InChIKey of [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine?
The InChIKey is NHLISFHBRGFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-14(3)17-7-9-18(10-8-17)15(12-16)6-5-13(2)11-15/h13-14H,4-12,16H2,1-3H3.
What are the key properties of [1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine?
[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]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-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 64500744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).