N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine

C10H15N — CID 118616451

IUPACN-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
SMILESC=C/C=C(N=C)/C(=C/C)CC
InChIInChI=1S/C10H15N/c1-5-8-10(11-4)9(6-2)7-3/h5-6,8H,1,4,7H2,2-3H3/b9-6+,10-8-
InChIKeyJIFKLQQCONNMHX-BXXMFMFASA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds4

About N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine

N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine (PubChem CID 118616451) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
PubChem CID118616451
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
SMILESC=C/C=C(N=C)/C(=C/C)CC
InChIInChI=1S/C10H15N/c1-5-8-10(11-4)9(6-2)7-3/h5-6,8H,1,4,7H2,2-3H3/b9-6+,10-8-
InChIKeyJIFKLQQCONNMHX-BXXMFMFASA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine (CID 118616451) is N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine is C=C/C=C(N=C)/C(=C/C)CC.
What is the InChIKey of N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine?
The InChIKey is JIFKLQQCONNMHX-BXXMFMFASA-N. The full InChI is InChI=1S/C10H15N/c1-5-8-10(11-4)9(6-2)7-3/h5-6,8H,1,4,7H2,2-3H3/b9-6+,10-8-.
What are the key properties of N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine?
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine is sourced from PubChem (CID 118616451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).