1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine

C17H23NO — CID 107009609

IUPAC1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1coc2ccccc12
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-11-16(18-2)15-13-19-17-12-9-8-10-14(15)17/h3,8-10,12-13,16,18H,1,4-7,11H2,2H3
InChIKeySSLNANKMMPEJJO-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.83
Rot. Bonds8

About 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine

1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine (PubChem CID 107009609) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine
PubChem CID107009609
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1coc2ccccc12
InChIInChI=1S/C17H23NO/c1-3-4-5-6-7-11-16(18-2)15-13-19-17-12-9-8-10-14(15)17/h3,8-10,12-13,16,18H,1,4-7,11H2,2H3
InChIKeySSLNANKMMPEJJO-UHFFFAOYSA-N
XLogP4.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.83
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-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
N-methyl-1-quinolin-4-yloct-7-en-1-amine
CID 107011594
3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216
N-methyl-1-quinolin-5-ylhex-5-en-1-amine
CID 105153263
N-methyl-1-quinolin-2-yloct-7-en-1-amine
CID 107009092
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
1-quinolin-4-yloct-7-enylhydrazine
CID 107013009
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
CID 107011502
1-(2-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 107985039
1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
CID 107102445

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine (CID 107009609) is 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine?
The InChIKey is SSLNANKMMPEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-4-5-6-7-11-16(18-2)15-13-19-17-12-9-8-10-14(15)17/h3,8-10,12-13,16,18H,1,4-7,11H2,2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine?
1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107009609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).