1-cyclopropylnaphthalen-2-amine

C13H13N — CID 170561306

IUPAC1-cyclopropylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1C1CC1
InChIInChI=1S/C13H13N/c14-12-8-7-9-3-1-2-4-11(9)13(12)10-5-6-10/h1-4,7-8,10H,5-6,14H2
InChIKeyHKMMXNGDLOGSIN-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.30
Rot. Bonds1

About 1-cyclopropylnaphthalen-2-amine

1-cyclopropylnaphthalen-2-amine (PubChem CID 170561306) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-cyclopropylnaphthalen-2-amine.

Molecular Properties

Compound Name1-cyclopropylnaphthalen-2-amine
PubChem CID170561306
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name1-cyclopropylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1C1CC1
InChIInChI=1S/C13H13N/c14-12-8-7-9-3-1-2-4-11(9)13(12)10-5-6-10/h1-4,7-8,10H,5-6,14H2
InChIKeyHKMMXNGDLOGSIN-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropylnaphthalen-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-cyclopropylnaphthalen-2-amine?
The IUPAC name of 1-cyclopropylnaphthalen-2-amine (CID 170561306) is 1-cyclopropylnaphthalen-2-amine.
What is the SMILES notation for 1-cyclopropylnaphthalen-2-amine?
The canonical SMILES for 1-cyclopropylnaphthalen-2-amine is Nc1ccc2ccccc2c1C1CC1.
What is the InChIKey of 1-cyclopropylnaphthalen-2-amine?
The InChIKey is HKMMXNGDLOGSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c14-12-8-7-9-3-1-2-4-11(9)13(12)10-5-6-10/h1-4,7-8,10H,5-6,14H2.
What are the key properties of 1-cyclopropylnaphthalen-2-amine?
1-cyclopropylnaphthalen-2-amine has a molecular weight of 183.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylnaphthalen-2-amine is sourced from PubChem (CID 170561306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).