(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine

C17H25N — CID 142208632

IUPAC(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine
SMILESC=CNC(/C=C/CCc1cccc(C)c1)CCC
InChIInChI=1S/C17H25N/c1-4-9-17(18-5-2)13-7-6-11-16-12-8-10-15(3)14-16/h5,7-8,10,12-14,17-18H,2,4,6,9,11H2,1,3H3/b13-7+
InChIKeySOAPPTSGPQGPKY-NTUHNPAUSA-N
MW243.39 g/mol
LogP4.39
Rot. Bonds8

About (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine

(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine (PubChem CID 142208632) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine
PubChem CID142208632
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine
SMILESC=CNC(/C=C/CCc1cccc(C)c1)CCC
InChIInChI=1S/C17H25N/c1-4-9-17(18-5-2)13-7-6-11-16-12-8-10-15(3)14-16/h5,7-8,10,12-14,17-18H,2,4,6,9,11H2,1,3H3/b13-7+
InChIKeySOAPPTSGPQGPKY-NTUHNPAUSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine?
The IUPAC name of (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine (CID 142208632) is (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine.
What is the SMILES notation for (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine?
The canonical SMILES for (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine is C=CNC(/C=C/CCc1cccc(C)c1)CCC.
What is the InChIKey of (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine?
The InChIKey is SOAPPTSGPQGPKY-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H25N/c1-4-9-17(18-5-2)13-7-6-11-16-12-8-10-15(3)14-16/h5,7-8,10,12-14,17-18H,2,4,6,9,11H2,1,3H3/b13-7+.
What are the key properties of (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine?
(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine has a molecular weight of 243.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine is sourced from PubChem (CID 142208632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).