[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine

C15H31N3 — CID 165456465

IUPAC[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCC(C)CN1CCN(C2CCCC(CN)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)12-17-6-8-18(9-7-17)15-5-3-4-14(10-15)11-16/h13-15H,3-12,16H2,1-2H3
InChIKeyPYANIKQKXQLVIW-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds4

About [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine

[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 165456465) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID165456465
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
SMILESCC(C)CN1CCN(C2CCCC(CN)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)12-17-6-8-18(9-7-17)15-5-3-4-14(10-15)11-16/h13-15H,3-12,16H2,1-2H3
InChIKeyPYANIKQKXQLVIW-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine (CID 165456465) is [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine is CC(C)CN1CCN(C2CCCC(CN)C2)CC1.
What is the InChIKey of [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is PYANIKQKXQLVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)12-17-6-8-18(9-7-17)15-5-3-4-14(10-15)11-16/h13-15H,3-12,16H2,1-2H3.
What are the key properties of [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine?
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 165456465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).