N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine

C8H13N — CID 139436221

IUPACN-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(C)\C=C/C
InChIInChI=1S/C8H13N/c1-5-6-7(2)8(3)9-4/h5-6H,4H2,1-3H3/b6-5-,8-7-
InChIKeyZKKKDRNWFBZYSO-ISTTXYCBSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds2

About N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine (PubChem CID 139436221) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
PubChem CID139436221
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(C)\C=C/C
InChIInChI=1S/C8H13N/c1-5-6-7(2)8(3)9-4/h5-6H,4H2,1-3H3/b6-5-,8-7-
InChIKeyZKKKDRNWFBZYSO-ISTTXYCBSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
CID 143773644
(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine
CID 134566444
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine (CID 139436221) is N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(C)\C=C/C.
What is the InChIKey of N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is ZKKKDRNWFBZYSO-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H13N/c1-5-6-7(2)8(3)9-4/h5-6H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 139436221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).