ethane;(2Z)-3-methylpenta-2,4-dien-1-imine

C8H15N — CID 143012826

IUPACethane;(2Z)-3-methylpenta-2,4-dien-1-imine
SMILESCC.[H]/N=C/C=C(/C)C=C
InChIInChI=1S/C6H9N.C2H6/c1-3-6(2)4-5-7;1-2/h3-5,7H,1H2,2H3;1-2H3/b6-4-,7-5+;
InChIKeyAEUCYJYMYMUYKX-ZMVRXXEHSA-N
MW125.21 g/mol
LogP2.79
Rot. Bonds2

About ethane;(2Z)-3-methylpenta-2,4-dien-1-imine

ethane;(2Z)-3-methylpenta-2,4-dien-1-imine (PubChem CID 143012826) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is ethane;(2Z)-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-3-methylpenta-2,4-dien-1-imine
PubChem CID143012826
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameethane;(2Z)-3-methylpenta-2,4-dien-1-imine
SMILESCC.[H]/N=C/C=C(/C)C=C
InChIInChI=1S/C6H9N.C2H6/c1-3-6(2)4-5-7;1-2/h3-5,7H,1H2,2H3;1-2H3/b6-4-,7-5+;
InChIKeyAEUCYJYMYMUYKX-ZMVRXXEHSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

Azaheptatriene
CID 86115777
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine
CID 89419008
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2Z)-N-fluoro-3-methylpenta-2,4-dien-1-imine
CID 143887774
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dien-1-imine
CID 156357283
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine
CID 169164822
Nona-2,4,6,8-tetraen-1-imine
CID 71330773
Nona-2,4,6,8-tetraenylideneazanium
CID 91117301

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of ethane;(2Z)-3-methylpenta-2,4-dien-1-imine (CID 143012826) is ethane;(2Z)-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2Z)-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2Z)-3-methylpenta-2,4-dien-1-imine is CC.[H]/N=C/C=C(/C)C=C.
What is the InChIKey of ethane;(2Z)-3-methylpenta-2,4-dien-1-imine?
The InChIKey is AEUCYJYMYMUYKX-ZMVRXXEHSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-3-6(2)4-5-7;1-2/h3-5,7H,1H2,2H3;1-2H3/b6-4-,7-5+;.
What are the key properties of ethane;(2Z)-3-methylpenta-2,4-dien-1-imine?
ethane;(2Z)-3-methylpenta-2,4-dien-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143012826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).