(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C15H26N2O2 — CID 65455684

IUPAC(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC1CCC(N)C(C(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C15H26N2O2/c1-9-2-5-14(16)13(6-9)15(19)17-10-3-4-11(17)8-12(18)7-10/h9-14,18H,2-8,16H2,1H3
InChIKeyDNBINRRGHOLCOR-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.26
Rot. Bonds1

About (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 65455684) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID65455684
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC1CCC(N)C(C(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C15H26N2O2/c1-9-2-5-14(16)13(6-9)15(19)17-10-3-4-11(17)8-12(18)7-10/h9-14,18H,2-8,16H2,1H3
InChIKeyDNBINRRGHOLCOR-UHFFFAOYSA-N
XLogP1.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 65455684) is (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CC1CCC(N)C(C(=O)N2C3CCC2CC(O)C3)C1.
What is the InChIKey of (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is DNBINRRGHOLCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-9-2-5-14(16)13(6-9)15(19)17-10-3-4-11(17)8-12(18)7-10/h9-14,18H,2-8,16H2,1H3.
What are the key properties of (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 65455684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).