N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine

C8H11N — CID 126490267

IUPACN-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine
SMILESC=C/C(=C/C=C\C)N=C
InChIInChI=1S/C8H11N/c1-4-6-7-8(5-2)9-3/h4-7H,2-3H2,1H3/b6-4-,8-7-
InChIKeyRULSKPSHZXZJNK-MOIRPGTBSA-N
MW121.18 g/mol
LogP2.33
Rot. Bonds3

About N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine

N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine (PubChem CID 126490267) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine
PubChem CID126490267
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine
SMILESC=C/C(=C/C=C\C)N=C
InChIInChI=1S/C8H11N/c1-4-6-7-8(5-2)9-3/h4-7H,2-3H2,1H3/b6-4-,8-7-
InChIKeyRULSKPSHZXZJNK-MOIRPGTBSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.33
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-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine (CID 126490267) is N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine is C=C/C(=C/C=C\C)N=C.
What is the InChIKey of N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine?
The InChIKey is RULSKPSHZXZJNK-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H11N/c1-4-6-7-8(5-2)9-3/h4-7H,2-3H2,1H3/b6-4-,8-7-.
What are the key properties of N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine?
N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine has a molecular weight of 121.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-hepta-1,3,5-trien-3-yl]methanimine is sourced from PubChem (CID 126490267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).