1-(2-methylphenyl)-N-propyloct-7-en-3-amine

C18H29N — CID 105153242

IUPAC1-(2-methylphenyl)-N-propyloct-7-en-3-amine
SMILESC=CCCCC(CCc1ccccc1C)NCCC
InChIInChI=1S/C18H29N/c1-4-6-7-12-18(19-15-5-2)14-13-17-11-9-8-10-16(17)3/h4,8-11,18-19H,1,5-7,12-15H2,2-3H3
InChIKeyGWJWLLIASHYTHK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.65
Rot. Bonds10

About 1-(2-methylphenyl)-N-propyloct-7-en-3-amine

1-(2-methylphenyl)-N-propyloct-7-en-3-amine (PubChem CID 105153242) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-propyloct-7-en-3-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-propyloct-7-en-3-amine
PubChem CID105153242
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2-methylphenyl)-N-propyloct-7-en-3-amine
SMILESC=CCCCC(CCc1ccccc1C)NCCC
InChIInChI=1S/C18H29N/c1-4-6-7-12-18(19-15-5-2)14-13-17-11-9-8-10-16(17)3/h4,8-11,18-19H,1,5-7,12-15H2,2-3H3
InChIKeyGWJWLLIASHYTHK-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.65
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-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-methyl-2-oct-7-enylbenzene
CID 18786509
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
1-(2-methylphenyl)hex-5-en-3-ylhydrazine
CID 105289536
4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-propyloct-7-en-3-amine?
The IUPAC name of 1-(2-methylphenyl)-N-propyloct-7-en-3-amine (CID 105153242) is 1-(2-methylphenyl)-N-propyloct-7-en-3-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-propyloct-7-en-3-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-propyloct-7-en-3-amine is C=CCCCC(CCc1ccccc1C)NCCC.
What is the InChIKey of 1-(2-methylphenyl)-N-propyloct-7-en-3-amine?
The InChIKey is GWJWLLIASHYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-6-7-12-18(19-15-5-2)14-13-17-11-9-8-10-16(17)3/h4,8-11,18-19H,1,5-7,12-15H2,2-3H3.
What are the key properties of 1-(2-methylphenyl)-N-propyloct-7-en-3-amine?
1-(2-methylphenyl)-N-propyloct-7-en-3-amine has a molecular weight of 259.44 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-propyloct-7-en-3-amine is sourced from PubChem (CID 105153242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).