4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one

C17H33N3O — CID 64682167

IUPAC4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one
SMILESCCC(C)(C)C1CCC(CN)C(N2CCN(C)C(=O)C2)C1
InChIInChI=1S/C17H33N3O/c1-5-17(2,3)14-7-6-13(11-18)15(10-14)20-9-8-19(4)16(21)12-20/h13-15H,5-12,18H2,1-4H3
InChIKeyWADDXQCUWCGVNJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.94
Rot. Bonds4

About 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one

4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one (PubChem CID 64682167) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one
PubChem CID64682167
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one
SMILESCCC(C)(C)C1CCC(CN)C(N2CCN(C)C(=O)C2)C1
InChIInChI=1S/C17H33N3O/c1-5-17(2,3)14-7-6-13(11-18)15(10-14)20-9-8-19(4)16(21)12-20/h13-15H,5-12,18H2,1-4H3
InChIKeyWADDXQCUWCGVNJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one (CID 64682167) is 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one is CCC(C)(C)C1CCC(CN)C(N2CCN(C)C(=O)C2)C1.
What is the InChIKey of 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one?
The InChIKey is WADDXQCUWCGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-17(2,3)14-7-6-13(11-18)15(10-14)20-9-8-19(4)16(21)12-20/h13-15H,5-12,18H2,1-4H3.
What are the key properties of 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one?
4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one has a molecular weight of 295.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64682167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).