5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one

C10H17NO — CID 18320390

IUPAC5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC(N)C1CC(=O)C=CC1(C)C
InChIInChI=1S/C10H17NO/c1-7(11)9-6-8(12)4-5-10(9,2)3/h4-5,7,9H,6,11H2,1-3H3
InChIKeyFXASYFHHYDWWKU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds1

About 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one

5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320390) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320390
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC(N)C1CC(=O)C=CC1(C)C
InChIInChI=1S/C10H17NO/c1-7(11)9-6-8(12)4-5-10(9,2)3/h4-5,7,9H,6,11H2,1-3H3
InChIKeyFXASYFHHYDWWKU-UHFFFAOYSA-N
XLogP1.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320390) is 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one is CC(N)C1CC(=O)C=CC1(C)C.
What is the InChIKey of 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is FXASYFHHYDWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(11)9-6-8(12)4-5-10(9,2)3/h4-5,7,9H,6,11H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).