2-prop-2-enylnaphthalen-1-amine

C13H13N — CID 12691562

IUPAC2-prop-2-enylnaphthalen-1-amine
SMILESC=CCc1ccc2ccccc2c1N
InChIInChI=1S/C13H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h2-4,6-9H,1,5,14H2
InChIKeyCODXJJVDWAAGDM-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.15
Rot. Bonds2

About 2-prop-2-enylnaphthalen-1-amine

2-prop-2-enylnaphthalen-1-amine (PubChem CID 12691562) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-prop-2-enylnaphthalen-1-amine.

Molecular Properties

Compound Name2-prop-2-enylnaphthalen-1-amine
PubChem CID12691562
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-prop-2-enylnaphthalen-1-amine
SMILESC=CCc1ccc2ccccc2c1N
InChIInChI=1S/C13H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h2-4,6-9H,1,5,14H2
InChIKeyCODXJJVDWAAGDM-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylnaphthalen-1-amine?
The IUPAC name of 2-prop-2-enylnaphthalen-1-amine (CID 12691562) is 2-prop-2-enylnaphthalen-1-amine.
What is the SMILES notation for 2-prop-2-enylnaphthalen-1-amine?
The canonical SMILES for 2-prop-2-enylnaphthalen-1-amine is C=CCc1ccc2ccccc2c1N.
What is the InChIKey of 2-prop-2-enylnaphthalen-1-amine?
The InChIKey is CODXJJVDWAAGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h2-4,6-9H,1,5,14H2.
What are the key properties of 2-prop-2-enylnaphthalen-1-amine?
2-prop-2-enylnaphthalen-1-amine has a molecular weight of 183.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylnaphthalen-1-amine is sourced from PubChem (CID 12691562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).