N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine

C12H19N — CID 170235375

IUPACN-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine
SMILESC/C=C\C=C(/C=C\C)CC/N=C/C
InChIInChI=1S/C12H19N/c1-4-7-9-12(8-5-2)10-11-13-6-3/h4-9H,10-11H2,1-3H3/b7-4-,8-5-,12-9+,13-6+
InChIKeyIKNYUOBVWWEBSP-CHCIFMPWSA-N
MW177.29 g/mol
LogP3.55
Rot. Bonds5

About N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine

N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine (PubChem CID 170235375) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine
PubChem CID170235375
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine
SMILESC/C=C\C=C(/C=C\C)CC/N=C/C
InChIInChI=1S/C12H19N/c1-4-7-9-12(8-5-2)10-11-13-6-3/h4-9H,10-11H2,1-3H3/b7-4-,8-5-,12-9+,13-6+
InChIKeyIKNYUOBVWWEBSP-CHCIFMPWSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.55
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'}

Analyze N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine with MolForge

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Related Compounds

N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
3-prop-1-enylundec-2-enal
CID 54027227
2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
CID 143177152
(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one
CID 143328964
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
(Z,2E)-2-ethylidenepent-3-en-1-ol;methanol
CID 144920748
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
CID 142379539
(2E,4E,7R)-2-[(E)-prop-1-enyl]octa-2,4-diene-1,7-diol
CID 156581219
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(2Z,6E,8E,10E)-4,8-bis[(Z)-prop-1-enyl]dodeca-2,4,6,8,10-pentaene
CID 145128728

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine?
The IUPAC name of N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine (CID 170235375) is N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine.
What is the SMILES notation for N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine?
The canonical SMILES for N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine is C/C=C\C=C(/C=C\C)CC/N=C/C.
What is the InChIKey of N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine?
The InChIKey is IKNYUOBVWWEBSP-CHCIFMPWSA-N. The full InChI is InChI=1S/C12H19N/c1-4-7-9-12(8-5-2)10-11-13-6-3/h4-9H,10-11H2,1-3H3/b7-4-,8-5-,12-9+,13-6+.
What are the key properties of N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine?
N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine is sourced from PubChem (CID 170235375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).