3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine

C16H23N — CID 65177305

IUPAC3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCc1ccc(C)c(C2=CC(N)CC(C)(C)C2)c1
InChIInChI=1S/C16H23N/c1-11-5-6-12(2)15(7-11)13-8-14(17)10-16(3,4)9-13/h5-8,14H,9-10,17H2,1-4H3
InChIKeyGZOJPUJGKYFXBT-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.83
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine

3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 65177305) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID65177305
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCc1ccc(C)c(C2=CC(N)CC(C)(C)C2)c1
InChIInChI=1S/C16H23N/c1-11-5-6-12(2)15(7-11)13-8-14(17)10-16(3,4)9-13/h5-8,14H,9-10,17H2,1-4H3
InChIKeyGZOJPUJGKYFXBT-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine (CID 65177305) is 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine is Cc1ccc(C)c(C2=CC(N)CC(C)(C)C2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is GZOJPUJGKYFXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11-5-6-12(2)15(7-11)13-8-14(17)10-16(3,4)9-13/h5-8,14H,9-10,17H2,1-4H3.
What are the key properties of 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 65177305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).