N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine

C17H27N — CID 113437849

IUPACN-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27N/c1-6-7-11-14(2)18-16(17(3,4)5)15-12-9-8-10-13-15/h6,8-10,12-14,16,18H,1,7,11H2,2-5H3
InChIKeyHHUQFZKZUQLLKQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.72
Rot. Bonds6

About N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine

N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine (PubChem CID 113437849) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine
PubChem CID113437849
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H27N/c1-6-7-11-14(2)18-16(17(3,4)5)15-12-9-8-10-13-15/h6,8-10,12-14,16,18H,1,7,11H2,2-5H3
InChIKeyHHUQFZKZUQLLKQ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-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 N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine (CID 113437849) is N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine is C=CCCC(C)NC(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine?
The InChIKey is HHUQFZKZUQLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-7-11-14(2)18-16(17(3,4)5)15-12-9-8-10-13-15/h6,8-10,12-14,16,18H,1,7,11H2,2-5H3.
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine?
N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)hex-5-en-2-amine is sourced from PubChem (CID 113437849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).