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

C16H33N3 — CID 62775189

IUPAC[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine
SMILESCCC(C)N1CCN(C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-15(3)18-9-11-19(12-10-18)16(13-17)7-5-14(2)6-8-16/h14-15H,4-13,17H2,1-3H3
InChIKeyQMCPHJFQBVJRDT-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds4

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

[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine (PubChem CID 62775189) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine
PubChem CID62775189
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine
SMILESCCC(C)N1CCN(C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-15(3)18-9-11-19(12-10-18)16(13-17)7-5-14(2)6-8-16/h14-15H,4-13,17H2,1-3H3
InChIKeyQMCPHJFQBVJRDT-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
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)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine (CID 62775189) is [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine is CCC(C)N1CCN(C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is QMCPHJFQBVJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-15(3)18-9-11-19(12-10-18)16(13-17)7-5-14(2)6-8-16/h14-15H,4-13,17H2,1-3H3.
What are the key properties of [1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine?
[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 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)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 62775189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).