4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one

C17H33N3O — CID 63597012

IUPAC4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)C1CCC(CN)C(N2CCNC(=O)C2(C)C)C1
InChIInChI=1S/C17H33N3O/c1-16(2,3)13-7-6-12(11-18)14(10-13)20-9-8-19-15(21)17(20,4)5/h12-14H,6-11,18H2,1-5H3,(H,19,21)
InChIKeyGSXKFEURINZDRK-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.99
Rot. Bonds2

About 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one

4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63597012) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one
PubChem CID63597012
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)C1CCC(CN)C(N2CCNC(=O)C2(C)C)C1
InChIInChI=1S/C17H33N3O/c1-16(2,3)13-7-6-12(11-18)14(10-13)20-9-8-19-15(21)17(20,4)5/h12-14H,6-11,18H2,1-5H3,(H,19,21)
InChIKeyGSXKFEURINZDRK-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one (CID 63597012) is 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one is CC(C)(C)C1CCC(CN)C(N2CCNC(=O)C2(C)C)C1.
What is the InChIKey of 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GSXKFEURINZDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-16(2,3)13-7-6-12(11-18)14(10-13)20-9-8-19-15(21)17(20,4)5/h12-14H,6-11,18H2,1-5H3,(H,19,21).
What are the key properties of 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one?
4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 295.47 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63597012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).