N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine

C8H11N — CID 178001749

IUPACN-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C(=C\C(=C)C)N=C
InChIInChI=1S/C8H11N/c1-5-8(9-4)6-7(2)3/h5-6H,1-2,4H2,3H3/b8-6+
InChIKeyQFCWZUKYKBIIHS-SOFGYWHQSA-N
MW121.18 g/mol
LogP2.33
Rot. Bonds3

About N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine

N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine (PubChem CID 178001749) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
PubChem CID178001749
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C(=C\C(=C)C)N=C
InChIInChI=1S/C8H11N/c1-5-8(9-4)6-7(2)3/h5-6H,1-2,4H2,3H3/b8-6+
InChIKeyQFCWZUKYKBIIHS-SOFGYWHQSA-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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Related Compounds

(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 143289392
ethane;3-[[(3E)-5-methylhexa-1,3,5-trien-3-yl]diazenyl]aniline
CID 171801546
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
formonitrile;2-methylbuta-1,3-diene
CID 159945395
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine?
The IUPAC name of N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine (CID 178001749) is N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine.
What is the SMILES notation for N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine?
The canonical SMILES for N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine is C=C/C(=C\C(=C)C)N=C.
What is the InChIKey of N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine?
The InChIKey is QFCWZUKYKBIIHS-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H11N/c1-5-8(9-4)6-7(2)3/h5-6H,1-2,4H2,3H3/b8-6+.
What are the key properties of N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine?
N-[(3E)-5-methylhexa-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-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine is sourced from PubChem (CID 178001749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).