ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine

C10H19N — CID 143010225

IUPACethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C/C(C)C.CC
InChIInChI=1S/C8H13N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-4-,7-5-;
InChIKeyHYHADSSAQPJILL-ISOJEIHBSA-N
MW153.27 g/mol
LogP3.44
Rot. Bonds3

About ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine

ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine (PubChem CID 143010225) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
PubChem CID143010225
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C/C(C)C.CC
InChIInChI=1S/C8H13N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-4-,7-5-;
InChIKeyHYHADSSAQPJILL-ISOJEIHBSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.44
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-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine
CID 142943366
N-hexa-1,3-dienylhex-3-en-1-imine
CID 56629480
N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine
CID 59876420
(1E,3E)-1-isocyanato-5-methylhexa-1,3-diene
CID 59887960
N-[(1Z,3E)-3-ethenylhexa-1,3-dienyl]methanimine
CID 88863922
N-[(1Z,3Z)-3-methylhexa-1,3-dienyl]ethanimine
CID 88906035
N-[(1Z,3E)-hexa-1,3-dienyl]methanimine
CID 88963303
CID 89009059
CID 89009059
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 89219458
N-[(1Z,4E)-3-methylidenehexa-1,4-dienyl]methanimine
CID 89276769

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine (CID 143010225) is ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine is C=N/C=C\C=C/C(C)C.CC.
What is the InChIKey of ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine?
The InChIKey is HYHADSSAQPJILL-ISOJEIHBSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-8(2)6-4-5-7-9-3;1-2/h4-8H,3H2,1-2H3;1-2H3/b6-4-,7-5-;.
What are the key properties of ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine?
ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 143010225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).