N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine

C14H23NO — CID 115908910

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NCc1cc(C)oc1C
InChIInChI=1S/C14H23NO/c1-5-6-7-8-11(2)15-10-14-9-12(3)16-13(14)4/h5,9,11,15H,1,6-8,10H2,2-4H3
InChIKeyGUHVFCXCTWWAJX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.73
Rot. Bonds7

About N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine

N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine (PubChem CID 115908910) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
PubChem CID115908910
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NCc1cc(C)oc1C
InChIInChI=1S/C14H23NO/c1-5-6-7-8-11(2)15-10-14-9-12(3)16-13(14)4/h5,9,11,15H,1,6-8,10H2,2-4H3
InChIKeyGUHVFCXCTWWAJX-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.73
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

2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
Cyclafuramid
CID 93178
(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 17148782
N-cyclooctyl-2-methyl-3-furamide
CID 903212
2-methyl-N-(1-methylhexyl)-3-furamide
CID 4082205
N-[1-(2,5-dimethyl-3-furyl)ethyl]-N-hydroxyurea
CID 10535951
5-Methyl-N-(1-methyl-2-phenylethyl)-2-furanmethanamine
CID 211862
1-(2-Methylfuran-3-yl)methanamine
CID 18525866

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine (CID 115908910) is N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine is C=CCCCC(C)NCc1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine?
The InChIKey is GUHVFCXCTWWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-7-8-11(2)15-10-14-9-12(3)16-13(14)4/h5,9,11,15H,1,6-8,10H2,2-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine is sourced from PubChem (CID 115908910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).