N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine

C11H15N — CID 144864359

IUPACN-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine
SMILESC=N/C=C\C(=C\C=C/C)C(=C)C
InChIInChI=1S/C11H15N/c1-5-6-7-11(10(2)3)8-9-12-4/h5-9H,2,4H2,1,3H3/b6-5-,9-8-,11-7-
InChIKeyHWGJVIQRAFFJPL-UCEPWECJSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine

N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine (PubChem CID 144864359) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine
PubChem CID144864359
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine
SMILESC=N/C=C\C(=C\C=C/C)C(=C)C
InChIInChI=1S/C11H15N/c1-5-6-7-11(10(2)3)8-9-12-4/h5-9H,2,4H2,1,3H3/b6-5-,9-8-,11-7-
InChIKeyHWGJVIQRAFFJPL-UCEPWECJSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
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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Related Compounds

N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3E)-4-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 135202911
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 143467349
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
N-[(1E,3Z,5Z)-5-(2,2-difluoroethyl)-3-(1-fluoroethyl)octa-1,3,5-trienyl]methanimine
CID 155442270

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine?
The IUPAC name of N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine (CID 144864359) is N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine is C=N/C=C\C(=C\C=C/C)C(=C)C.
What is the InChIKey of N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine?
The InChIKey is HWGJVIQRAFFJPL-UCEPWECJSA-N. The full InChI is InChI=1S/C11H15N/c1-5-6-7-11(10(2)3)8-9-12-4/h5-9H,2,4H2,1,3H3/b6-5-,9-8-,11-7-.
What are the key properties of N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine?
N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z,5Z)-3-prop-1-en-2-ylhepta-1,3,5-trienyl]methanimine is sourced from PubChem (CID 144864359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).