4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine

C16H15N3 — CID 67449901

IUPAC4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine
SMILESNc1cc(Cc2ccc(N)c3ccccc23)ccn1
InChIInChI=1S/C16H15N3/c17-15-6-5-12(13-3-1-2-4-14(13)15)9-11-7-8-19-16(18)10-11/h1-8,10H,9,17H2,(H2,18,19)
InChIKeyJTOGNPSDHCEKHV-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.99
Rot. Bonds2

About 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine

4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine (PubChem CID 67449901) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine
PubChem CID67449901
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine
SMILESNc1cc(Cc2ccc(N)c3ccccc23)ccn1
InChIInChI=1S/C16H15N3/c17-15-6-5-12(13-3-1-2-4-14(13)15)9-11-7-8-19-16(18)10-11/h1-8,10H,9,17H2,(H2,18,19)
InChIKeyJTOGNPSDHCEKHV-UHFFFAOYSA-N
XLogP2.99
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine (CID 67449901) is 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine is Nc1cc(Cc2ccc(N)c3ccccc23)ccn1.
What is the InChIKey of 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine?
The InChIKey is JTOGNPSDHCEKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-15-6-5-12(13-3-1-2-4-14(13)15)9-11-7-8-19-16(18)10-11/h1-8,10H,9,17H2,(H2,18,19).
What are the key properties of 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine?
4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminonaphthalen-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 67449901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).