(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone

C16H28N2O — CID 102628701

IUPAC(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC1C(N)CCC(C(=O)N2CC3CCC2C3)C1(C)C
InChIInChI=1S/C16H28N2O/c1-10-14(17)7-6-13(16(10,2)3)15(19)18-9-11-4-5-12(18)8-11/h10-14H,4-9,17H2,1-3H3
InChIKeyKHJRIOPENXTFLZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.40
Rot. Bonds1

About (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone

(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 102628701) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID102628701
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC1C(N)CCC(C(=O)N2CC3CCC2C3)C1(C)C
InChIInChI=1S/C16H28N2O/c1-10-14(17)7-6-13(16(10,2)3)15(19)18-9-11-4-5-12(18)8-11/h10-14H,4-9,17H2,1-3H3
InChIKeyKHJRIOPENXTFLZ-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone with MolForge

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Related Compounds

(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 102628858
(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 102628765
(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 102628392
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780666
4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione
CID 102628989
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
(3-aminocyclopentyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 66009836
1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide
CID 102628551
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide
CID 102629191
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
CID 102628805

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone (CID 102628701) is (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone is CC1C(N)CCC(C(=O)N2CC3CCC2C3)C1(C)C.
What is the InChIKey of (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is KHJRIOPENXTFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10-14(17)7-6-13(16(10,2)3)15(19)18-9-11-4-5-12(18)8-11/h10-14H,4-9,17H2,1-3H3.
What are the key properties of (4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 2.40, 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-azabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 102628701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).