N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine

C17H25NO — CID 105045111

IUPACN-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-15(18-3)17-12-14-11-13(2)9-10-16(14)19-17/h9-12,15,18H,4-8H2,1-3H3
InChIKeyGNZVSDNYWSJJPR-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.97
Rot. Bonds7

About N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine

N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine (PubChem CID 105045111) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
PubChem CID105045111
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-15(18-3)17-12-14-11-13(2)9-10-16(14)19-17/h9-12,15,18H,4-8H2,1-3H3
InChIKeyGNZVSDNYWSJJPR-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
2-ethyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)hexan-1-amine
CID 105045206
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
CID 105179544
1-(5-methyl-1-benzofuran-2-yl)hex-5-enylhydrazine
CID 105311268
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940
1-(2-bromo-4-methylphenyl)-N-methylundecan-1-amine
CID 115845869
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine?
The IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine (CID 105045111) is N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine is CCCCCCC(NC)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine?
The InChIKey is GNZVSDNYWSJJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-5-6-7-8-15(18-3)17-12-14-11-13(2)9-10-16(14)19-17/h9-12,15,18H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine?
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine is sourced from PubChem (CID 105045111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).