N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine

C17H23N — CID 174089130

IUPACN-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine
SMILESC=CC(=C)C(/C=C(/C)CC)=C/C=C(\C)C(=C)N=C
InChIInChI=1S/C17H23N/c1-8-13(3)12-17(14(4)9-2)11-10-15(5)16(6)18-7/h9-12H,2,4,6-8H2,1,3,5H3/b13-12-,15-10+,17-11+
InChIKeyTYXHMWQNCKUQCQ-UUUQWSOWSA-N
MW241.38 g/mol
LogP5.17
Rot. Bonds7

About N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine

N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine (PubChem CID 174089130) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine
PubChem CID174089130
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine
SMILESC=CC(=C)C(/C=C(/C)CC)=C/C=C(\C)C(=C)N=C
InChIInChI=1S/C17H23N/c1-8-13(3)12-17(14(4)9-2)11-10-15(5)16(6)18-7/h9-12H,2,4,6-8H2,1,3,5H3/b13-12-,15-10+,17-11+
InChIKeyTYXHMWQNCKUQCQ-UUUQWSOWSA-N
XLogP5.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine?
The IUPAC name of N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine (CID 174089130) is N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine.
What is the SMILES notation for N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine?
The canonical SMILES for N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine is C=CC(=C)C(/C=C(/C)CC)=C/C=C(\C)C(=C)N=C.
What is the InChIKey of N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine?
The InChIKey is TYXHMWQNCKUQCQ-UUUQWSOWSA-N. The full InChI is InChI=1S/C17H23N/c1-8-13(3)12-17(14(4)9-2)11-10-15(5)16(6)18-7/h9-12H,2,4,6-8H2,1,3,5H3/b13-12-,15-10+,17-11+.
What are the key properties of N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine?
N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine has a molecular weight of 241.38 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E,7Z)-6-buta-1,3-dien-2-yl-3,8-dimethyldeca-1,3,5,7-tetraen-2-yl]methanimine is sourced from PubChem (CID 174089130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).