N-hexa-3,5-dien-3-ylmethanimine

C7H11N — CID 123675398

IUPACN-hexa-3,5-dien-3-ylmethanimine
SMILESC=CC=C(CC)N=C
InChIInChI=1S/C7H11N/c1-4-6-7(5-2)8-3/h4,6H,1,3,5H2,2H3
InChIKeyCTCADHYGXKLWSO-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds3

About N-hexa-3,5-dien-3-ylmethanimine

N-hexa-3,5-dien-3-ylmethanimine (PubChem CID 123675398) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-hexa-3,5-dien-3-ylmethanimine.

Molecular Properties

Compound NameN-hexa-3,5-dien-3-ylmethanimine
PubChem CID123675398
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-hexa-3,5-dien-3-ylmethanimine
SMILESC=CC=C(CC)N=C
InChIInChI=1S/C7H11N/c1-4-6-7(5-2)8-3/h4,6H,1,3,5H2,2H3
InChIKeyCTCADHYGXKLWSO-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
CID 143712390
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
N-[(3Z)-6,6,8,8-tetramethylnona-1,3-dien-4-yl]methanimine
CID 144504919
(3E)-4-fluorohexa-1,3-diene
CID 88586520
N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide
CID 129253220
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
CID 138672631
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
CID 134406292
[(3E)-hexa-3,5-dien-3-yl]cyclopropane
CID 13014702
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962

Frequently Asked Questions

What is the IUPAC name of N-hexa-3,5-dien-3-ylmethanimine?
The IUPAC name of N-hexa-3,5-dien-3-ylmethanimine (CID 123675398) is N-hexa-3,5-dien-3-ylmethanimine.
What is the SMILES notation for N-hexa-3,5-dien-3-ylmethanimine?
The canonical SMILES for N-hexa-3,5-dien-3-ylmethanimine is C=CC=C(CC)N=C.
What is the InChIKey of N-hexa-3,5-dien-3-ylmethanimine?
The InChIKey is CTCADHYGXKLWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-6-7(5-2)8-3/h4,6H,1,3,5H2,2H3.
What are the key properties of N-hexa-3,5-dien-3-ylmethanimine?
N-hexa-3,5-dien-3-ylmethanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-3,5-dien-3-ylmethanimine is sourced from PubChem (CID 123675398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).