N-[(3E)-hexa-1,3-dien-2-yl]ethanimine

C8H13N — CID 148865556

IUPACN-[(3E)-hexa-1,3-dien-2-yl]ethanimine
SMILESC=C(/C=C/CC)/N=C/C
InChIInChI=1S/C8H13N/c1-4-6-7-8(3)9-5-2/h5-7H,3-4H2,1-2H3/b7-6+,9-5+
InChIKeyPADONCXTLOUZAL-CQCRHSALSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds3

About N-[(3E)-hexa-1,3-dien-2-yl]ethanimine

N-[(3E)-hexa-1,3-dien-2-yl]ethanimine (PubChem CID 148865556) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3-dien-2-yl]ethanimine
PubChem CID148865556
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(3E)-hexa-1,3-dien-2-yl]ethanimine
SMILESC=C(/C=C/CC)/N=C/C
InChIInChI=1S/C8H13N/c1-4-6-7-8(3)9-5-2/h5-7H,3-4H2,1-2H3/b7-6+,9-5+
InChIKeyPADONCXTLOUZAL-CQCRHSALSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(3Z)-N-(2-methylpropyl)hexa-1,3-dien-2-amine
CID 145102925
(E)-5-methylidenenon-3-ene
CID 173104879
ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
CID 143978503
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(3E)-hexa-1,3-dien-2-yl]ethanimine (CID 148865556) is N-[(3E)-hexa-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(3E)-hexa-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(3E)-hexa-1,3-dien-2-yl]ethanimine is C=C(/C=C/CC)/N=C/C.
What is the InChIKey of N-[(3E)-hexa-1,3-dien-2-yl]ethanimine?
The InChIKey is PADONCXTLOUZAL-CQCRHSALSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-7-8(3)9-5-2/h5-7H,3-4H2,1-2H3/b7-6+,9-5+.
What are the key properties of N-[(3E)-hexa-1,3-dien-2-yl]ethanimine?
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 148865556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).