1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H23N — CID 15645399

IUPAC1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCC1c2ccccc2CCC1NCCC
InChIInChI=1S/C16H23N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3
InChIKeyBZQXDYYMAHDTFU-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.66
Rot. Bonds5

About 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 15645399) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID15645399
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCC1c2ccccc2CCC1NCCC
InChIInChI=1S/C16H23N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3
InChIKeyBZQXDYYMAHDTFU-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-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 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 15645399) is 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is C=CCC1c2ccccc2CCC1NCCC.
What is the InChIKey of 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BZQXDYYMAHDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-7-15-14-9-6-5-8-13(14)10-11-16(15)17-12-4-2/h3,5-6,8-9,15-17H,1,4,7,10-12H2,2H3.
What are the key properties of 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 15645399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).