1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine

C19H27NO — CID 107009087

IUPAC1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cc2ccccc2o1
InChIInChI=1S/C19H27NO/c1-3-5-6-7-8-12-17(20-14-4-2)19-15-16-11-9-10-13-18(16)21-19/h3,9-11,13,15,17,20H,1,4-8,12,14H2,2H3
InChIKeyYRRACNZXELEJQX-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.61
Rot. Bonds10

About 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine

1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine (PubChem CID 107009087) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
PubChem CID107009087
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cc2ccccc2o1
InChIInChI=1S/C19H27NO/c1-3-5-6-7-8-12-17(20-14-4-2)19-15-16-11-9-10-13-18(16)21-19/h3,9-11,13,15,17,20H,1,4-8,12,14H2,2H3
InChIKeyYRRACNZXELEJQX-UHFFFAOYSA-N
XLogP5.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
CID 104986700
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(5-methyl-1-benzofuran-2-yl)hex-5-enylhydrazine
CID 105311268

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine (CID 107009087) is 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine?
The InChIKey is YRRACNZXELEJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-5-6-7-8-12-17(20-14-4-2)19-15-16-11-9-10-13-18(16)21-19/h3,9-11,13,15,17,20H,1,4-8,12,14H2,2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine?
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine has a molecular weight of 285.43 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107009087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).