1-(furan-2-yl)-N-octadec-9-enylmethanimine

C23H39NO — CID 70204995

IUPAC1-(furan-2-yl)-N-octadec-9-enylmethanimine
SMILESCCCCCCCCC=CCCCCCCCC/N=C/c1ccco1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22-23-19-18-21-25-23/h9-10,18-19,21-22H,2-8,11-17,20H2,1H3/b10-9?,24-22+
InChIKeyNKWKBMFPEUEMPD-VUYSXPJJSA-N
MW345.57 g/mol
LogP7.74
Rot. Bonds17

About 1-(furan-2-yl)-N-octadec-9-enylmethanimine

1-(furan-2-yl)-N-octadec-9-enylmethanimine (PubChem CID 70204995) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-octadec-9-enylmethanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-octadec-9-enylmethanimine
PubChem CID70204995
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC Name1-(furan-2-yl)-N-octadec-9-enylmethanimine
SMILESCCCCCCCCC=CCCCCCCCC/N=C/c1ccco1
InChIInChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22-23-19-18-21-25-23/h9-10,18-19,21-22H,2-8,11-17,20H2,1H3/b10-9?,24-22+
InChIKeyNKWKBMFPEUEMPD-VUYSXPJJSA-N
XLogP7.74
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-tridec-1-enylfuran
CID 76580057
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
(E,4Z)-4-(furan-2-ylmethylidene)docos-13-enoic acid
CID 59928970
2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan
CID 10646033
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-(furan-2-ylmethylideneamino)dodecane-1-sulfonamide
CID 54037768
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
CID 171377962
CID 171377962
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
(E)-hexadec-6-ene
CID 5352260
nonacos-6-ene
CID 25200821

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-octadec-9-enylmethanimine?
The IUPAC name of 1-(furan-2-yl)-N-octadec-9-enylmethanimine (CID 70204995) is 1-(furan-2-yl)-N-octadec-9-enylmethanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-octadec-9-enylmethanimine?
The canonical SMILES for 1-(furan-2-yl)-N-octadec-9-enylmethanimine is CCCCCCCCC=CCCCCCCCC/N=C/c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-octadec-9-enylmethanimine?
The InChIKey is NKWKBMFPEUEMPD-VUYSXPJJSA-N. The full InChI is InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22-23-19-18-21-25-23/h9-10,18-19,21-22H,2-8,11-17,20H2,1H3/b10-9?,24-22+.
What are the key properties of 1-(furan-2-yl)-N-octadec-9-enylmethanimine?
1-(furan-2-yl)-N-octadec-9-enylmethanimine has a molecular weight of 345.57 g/mol, XLogP of 7.74, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-octadec-9-enylmethanimine is sourced from PubChem (CID 70204995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).