1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine

C15H18N2 — CID 131966581

IUPAC1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine
SMILESCC(C)=C/N=C/C1=C(N)C=CC2C=CC=CC12
InChIInChI=1S/C15H18N2/c1-11(2)9-17-10-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-10,12-13H,16H2,1-2H3/b17-10+
InChIKeyXMZWFOWTEFQMEN-LICLKQGHSA-N
MW226.32 g/mol
LogP3.12
Rot. Bonds2

About 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine

1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine (PubChem CID 131966581) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine
PubChem CID131966581
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine
SMILESCC(C)=C/N=C/C1=C(N)C=CC2C=CC=CC12
InChIInChI=1S/C15H18N2/c1-11(2)9-17-10-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-10,12-13H,16H2,1-2H3/b17-10+
InChIKeyXMZWFOWTEFQMEN-LICLKQGHSA-N
XLogP3.12
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine?
The IUPAC name of 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine (CID 131966581) is 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine.
What is the SMILES notation for 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine?
The canonical SMILES for 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine is CC(C)=C/N=C/C1=C(N)C=CC2C=CC=CC12.
What is the InChIKey of 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine?
The InChIKey is XMZWFOWTEFQMEN-LICLKQGHSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(2)9-17-10-14-13-6-4-3-5-12(13)7-8-15(14)16/h3-10,12-13H,16H2,1-2H3/b17-10+.
What are the key properties of 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine?
1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine has a molecular weight of 226.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine is sourced from PubChem (CID 131966581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).