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

C10H17NO — CID 68982704

IUPAC2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC(N)C1=CC(C)(C)CCC1=O
InChIInChI=1S/C10H17NO/c1-7(11)8-6-10(2,3)5-4-9(8)12/h6-7H,4-5,11H2,1-3H3
InChIKeyNTWUXJWZGQXMSM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds1

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

2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 68982704) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID68982704
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC(N)C1=CC(C)(C)CCC1=O
InChIInChI=1S/C10H17NO/c1-7(11)8-6-10(2,3)5-4-9(8)12/h6-7H,4-5,11H2,1-3H3
InChIKeyNTWUXJWZGQXMSM-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 68982704) is 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one is CC(N)C1=CC(C)(C)CCC1=O.
What is the InChIKey of 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is NTWUXJWZGQXMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(11)8-6-10(2,3)5-4-9(8)12/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one?
2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 68982704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).