3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine

C14H17N — CID 172827488

IUPAC3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine
SMILESCC1(C)C=C(N)C=C(c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h3-8,10H,9,15H2,1-2H3
InChIKeyVBKZIFUNWZJDJF-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.34
Rot. Bonds1

About 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine

3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine (PubChem CID 172827488) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine
PubChem CID172827488
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine
SMILESCC1(C)C=C(N)C=C(c2ccccc2)C1
InChIInChI=1S/C14H17N/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h3-8,10H,9,15H2,1-2H3
InChIKeyVBKZIFUNWZJDJF-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine (CID 172827488) is 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine is CC1(C)C=C(N)C=C(c2ccccc2)C1.
What is the InChIKey of 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine?
The InChIKey is VBKZIFUNWZJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(2)9-12(8-13(15)10-14)11-6-4-3-5-7-11/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine?
3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 172827488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).