1-(4-ethylphenyl)oct-7-en-1-amine

C16H25N — CID 107008823

IUPAC1-(4-ethylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(CC)cc1
InChIInChI=1S/C16H25N/c1-3-5-6-7-8-9-16(17)15-12-10-14(4-2)11-13-15/h3,10-13,16H,1,4-9,17H2,2H3
InChIKeyUFDAKBLTWRVJCY-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.39
Rot. Bonds8

About 1-(4-ethylphenyl)oct-7-en-1-amine

1-(4-ethylphenyl)oct-7-en-1-amine (PubChem CID 107008823) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)oct-7-en-1-amine
PubChem CID107008823
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(4-ethylphenyl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1ccc(CC)cc1
InChIInChI=1S/C16H25N/c1-3-5-6-7-8-9-16(17)15-12-10-14(4-2)11-13-15/h3,10-13,16H,1,4-9,17H2,2H3
InChIKeyUFDAKBLTWRVJCY-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-ethylphenyl)pent-4-en-1-amine
CID 171211235
1-(4-ethylphenyl)decan-1-amine
CID 63412475
1-(4-ethylphenyl)oct-7-enylhydrazine
CID 107012388
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
1-(4-fluoro-3-methylphenyl)oct-7-en-1-amine
CID 107008902
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 113326937
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642
1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-[2-(1,1-difluoroethyl)oct-7-enyl]-4-ethylbenzene
CID 167138334
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)oct-7-en-1-amine?
The IUPAC name of 1-(4-ethylphenyl)oct-7-en-1-amine (CID 107008823) is 1-(4-ethylphenyl)oct-7-en-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)oct-7-en-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)oct-7-en-1-amine is C=CCCCCCC(N)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)oct-7-en-1-amine?
The InChIKey is UFDAKBLTWRVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-5-6-7-8-9-16(17)15-12-10-14(4-2)11-13-15/h3,10-13,16H,1,4-9,17H2,2H3.
What are the key properties of 1-(4-ethylphenyl)oct-7-en-1-amine?
1-(4-ethylphenyl)oct-7-en-1-amine has a molecular weight of 231.38 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 1-(4-ethylphenyl)oct-7-en-1-amine is sourced from PubChem (CID 107008823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).