N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine

C10H15N — CID 123396486

IUPACN-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine
SMILESC=C(/C=C\C=CC)/N=C/CC
InChIInChI=1S/C10H15N/c1-4-6-7-8-10(3)11-9-5-2/h4,6-9H,3,5H2,1-2H3/b6-4?,8-7-,11-9+
InChIKeyHDNUKPHMTMLLGF-BLZHIULCSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds4

About N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine

N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine (PubChem CID 123396486) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine
PubChem CID123396486
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine
SMILESC=C(/C=C\C=CC)/N=C/CC
InChIInChI=1S/C10H15N/c1-4-6-7-8-10(3)11-9-5-2/h4,6-9H,3,5H2,1-2H3/b6-4?,8-7-,11-9+
InChIKeyHDNUKPHMTMLLGF-BLZHIULCSA-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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Related Compounds

N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
CID 89073543
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-methylbutan-1-imine
CID 142106097
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]ethanimine
CID 143072411
N-but-2-en-2-ylpropan-1-imine
CID 21054927
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CID 54219721
2-Methylazocine
CID 57078389
ethane;2-methyl-3H-pyridin-3-ide;yttrium
CID 59468020
N-[(3E,5Z)-hepta-3,5-dien-3-yl]ethanimine
CID 88547836
N-[(3Z)-penta-1,3-dien-2-yl]ethanimine
CID 88948676
azanylidynecobalt;N-phenylethanimine
CID 89057031
1-N-[(2Z)-penta-2,4-dien-2-yl]-2-N-propylideneprop-2-ene-1,2-diimine
CID 89094224
(Z)-N-[(E)-but-2-en-2-yl]but-2-en-1-imine
CID 89140427

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine?
The IUPAC name of N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine (CID 123396486) is N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine.
What is the SMILES notation for N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine?
The canonical SMILES for N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine is C=C(/C=C\C=CC)/N=C/CC.
What is the InChIKey of N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine?
The InChIKey is HDNUKPHMTMLLGF-BLZHIULCSA-N. The full InChI is InChI=1S/C10H15N/c1-4-6-7-8-10(3)11-9-5-2/h4,6-9H,3,5H2,1-2H3/b6-4?,8-7-,11-9+.
What are the key properties of N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine?
N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine 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)-hepta-1,3,5-trien-2-yl]propan-1-imine is sourced from PubChem (CID 123396486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).