(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C17H30N2O2 — CID 102628858

IUPAC(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC1C(N)CCC(C(=O)N2C3CCC2CC(O)C3)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-10-15(18)7-6-14(17(10,2)3)16(21)19-11-4-5-12(19)9-13(20)8-11/h10-15,20H,4-9,18H2,1-3H3
InChIKeyYDPAKZSHTQKWGO-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.90
Rot. Bonds1

About (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 102628858) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID102628858
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC1C(N)CCC(C(=O)N2C3CCC2CC(O)C3)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-10-15(18)7-6-14(17(10,2)3)16(21)19-11-4-5-12(19)9-13(20)8-11/h10-15,20H,4-9,18H2,1-3H3
InChIKeyYDPAKZSHTQKWGO-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 102628858) is (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CC1C(N)CCC(C(=O)N2C3CCC2CC(O)C3)C1(C)C.
What is the InChIKey of (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is YDPAKZSHTQKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-10-15(18)7-6-14(17(10,2)3)16(21)19-11-4-5-12(19)9-13(20)8-11/h10-15,20H,4-9,18H2,1-3H3.
What are the key properties of (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 102628858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).