ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine

C10H18N2 — CID 144852900

IUPACethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(N=C)/C(C)=C/C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-5-7(2)8(10-4)6-9-3;1-2/h5-6H,3-4H2,1-2H3;1-2H3/b7-5+,8-6-;
InChIKeyHUJTYEUCPXUWKT-LFNVCNNASA-N
MW166.27 g/mol
LogP3.22
Rot. Bonds3

About ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine

ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine (PubChem CID 144852900) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine
PubChem CID144852900
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(N=C)/C(C)=C/C.CC
InChIInChI=1S/C8H12N2.C2H6/c1-5-7(2)8(10-4)6-9-3;1-2/h5-6H,3-4H2,1-2H3;1-2H3/b7-5+,8-6-;
InChIKeyHUJTYEUCPXUWKT-LFNVCNNASA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(3Z)-3-[(methylideneamino)methyl]penta-1,3-dien-2-yl]ethanimine
CID 90886674
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112
N-(3-methylpenta-1,3-dien-2-yl)ethanimine
CID 91483413
1-N-(3,6-dimethylhepta-1,3,5-trien-2-yl)-2-N-methylpropane-1,2-diimine
CID 123154836
N-[(3E)-3-methylpenta-1,3-dien-2-yl]ethanimine
CID 123600046
N-(3,4,8-trimethyldeca-3,5,7,9-tetraen-5-yl)methanimine
CID 123924179
N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine
CID 129049121
(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
CID 129194053
N-[(2Z,4Z,6E,7Z)-8-methyl-6-prop-2-enylidenedeca-2,4,7-trien-5-yl]methanimine
CID 130317733
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]methanimine
CID 138556077

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine (CID 144852900) is ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine is C=N/C=C(N=C)/C(C)=C/C.CC.
What is the InChIKey of ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine?
The InChIKey is HUJTYEUCPXUWKT-LFNVCNNASA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-5-7(2)8(10-4)6-9-3;1-2/h5-6H,3-4H2,1-2H3;1-2H3/b7-5+,8-6-;.
What are the key properties of ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine?
ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine has a molecular weight of 166.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3E)-3-methyl-2-(methylideneamino)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 144852900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).