2-methyl-2-phenylhex-5-en-3-amine

C13H19N — CID 63085538

IUPAC2-methyl-2-phenylhex-5-en-3-amine
SMILESC=CCC(N)C(C)(C)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-8-12(14)13(2,3)11-9-6-5-7-10-11/h4-7,9-10,12H,1,8,14H2,2-3H3
InChIKeyUQZVNDDYQQAQHC-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-2-phenylhex-5-en-3-amine

2-methyl-2-phenylhex-5-en-3-amine (PubChem CID 63085538) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-2-phenylhex-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-2-phenylhex-5-en-3-amine
PubChem CID63085538
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-methyl-2-phenylhex-5-en-3-amine
SMILESC=CCC(N)C(C)(C)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-8-12(14)13(2,3)11-9-6-5-7-10-11/h4-7,9-10,12H,1,8,14H2,2-3H3
InChIKeyUQZVNDDYQQAQHC-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-2-phenylhex-5-en-3-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 2-methyl-2-phenylhex-5-en-3-amine?
The IUPAC name of 2-methyl-2-phenylhex-5-en-3-amine (CID 63085538) is 2-methyl-2-phenylhex-5-en-3-amine.
What is the SMILES notation for 2-methyl-2-phenylhex-5-en-3-amine?
The canonical SMILES for 2-methyl-2-phenylhex-5-en-3-amine is C=CCC(N)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenylhex-5-en-3-amine?
The InChIKey is UQZVNDDYQQAQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-8-12(14)13(2,3)11-9-6-5-7-10-11/h4-7,9-10,12H,1,8,14H2,2-3H3.
What are the key properties of 2-methyl-2-phenylhex-5-en-3-amine?
2-methyl-2-phenylhex-5-en-3-amine has a molecular weight of 189.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylhex-5-en-3-amine is sourced from PubChem (CID 63085538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).