(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone

C17H32N2O — CID 102628765

IUPAC(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C(C)C1
InChIInChI=1S/C17H32N2O/c1-11-8-9-19(12(2)10-11)16(20)14-6-7-15(18)13(3)17(14,4)5/h11-15H,6-10,18H2,1-5H3
InChIKeyYRLYTGUMEKVCPT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.03
Rot. Bonds1

About (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone

(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 102628765) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID102628765
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C(C)C1
InChIInChI=1S/C17H32N2O/c1-11-8-9-19(12(2)10-11)16(20)14-6-7-15(18)13(3)17(14,4)5/h11-15H,6-10,18H2,1-5H3
InChIKeyYRLYTGUMEKVCPT-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 102628765) is (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C(C)C1.
What is the InChIKey of (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is YRLYTGUMEKVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-11-8-9-19(12(2)10-11)16(20)14-6-7-15(18)13(3)17(14,4)5/h11-15H,6-10,18H2,1-5H3.
What are the key properties of (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone?
(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 280.46 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 102628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).