5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one

C13H20N2O — CID 10262912

IUPAC5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one
SMILESCC1(C)CCC(N)(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H20N2O/c1-12(2)5-7-13(14,8-6-12)10-3-4-11(16)15-9-10/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)
InChIKeySYNOXEQDXHBEPB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds1

About 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one

5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one (PubChem CID 10262912) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one
PubChem CID10262912
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one
SMILESCC1(C)CCC(N)(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H20N2O/c1-12(2)5-7-13(14,8-6-12)10-3-4-11(16)15-9-10/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)
InChIKeySYNOXEQDXHBEPB-UHFFFAOYSA-N
XLogP2.13
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one (CID 10262912) is 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one is CC1(C)CCC(N)(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one?
The InChIKey is SYNOXEQDXHBEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(2)5-7-13(14,8-6-12)10-3-4-11(16)15-9-10/h3-4,9H,5-8,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one?
5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-4,4-dimethylcyclohexyl)-1H-pyridin-2-one is sourced from PubChem (CID 10262912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).