(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

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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).