1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine

C19H31N — CID 107011718

IUPAC1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cc(C)cc(C)c1
InChIInChI=1S/C19H31N/c1-5-7-8-9-10-11-19(20-12-6-2)18-14-16(3)13-17(4)15-18/h5,13-15,19-20H,1,6-12H2,2-4H3
InChIKeyGNHMWIVNCQXDDO-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.48
Rot. Bonds10

About 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine

1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine (PubChem CID 107011718) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
PubChem CID107011718
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cc(C)cc(C)c1
InChIInChI=1S/C19H31N/c1-5-7-8-9-10-11-19(20-12-6-2)18-14-16(3)13-17(4)15-18/h5,13-15,19-20H,1,6-12H2,2-4H3
InChIKeyGNHMWIVNCQXDDO-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.48
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

1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(5-chlorothiophen-2-yl)-N-propyloct-7-en-1-amine
CID 107011929
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine (CID 107011718) is 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine?
The InChIKey is GNHMWIVNCQXDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-7-8-9-10-11-19(20-12-6-2)18-14-16(3)13-17(4)15-18/h5,13-15,19-20H,1,6-12H2,2-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine?
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107011718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).