[3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine

C15H31N3 — CID 43585123

IUPAC[3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-9-18(10-8-17)15(12-16)6-4-5-14(3)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeyZQZQVGSTPSMSLQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine

[3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 43585123) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
PubChem CID43585123
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-9-18(10-8-17)15(12-16)6-4-5-14(3)11-15/h13-14H,4-12,16H2,1-3H3
InChIKeyZQZQVGSTPSMSLQ-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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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine (CID 43585123) is [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine is CC1CCCC(CN)(N2CCN(C(C)C)CC2)C1.
What is the InChIKey of [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
The InChIKey is ZQZQVGSTPSMSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-7-9-18(10-8-17)15(12-16)6-4-5-14(3)11-15/h13-14H,4-12,16H2,1-3H3.
What are the key properties of [3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine?
[3-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]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-methyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43585123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).