ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine

C9H17N — CID 142042526

IUPACethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C/C.CC
InChIInChI=1S/C7H11N.C2H6/c1-4-5-7(2)6-8-3;1-2/h4-6H,3H2,1-2H3;1-2H3/b5-4-,7-6-;
InChIKeySHVHOTRHHCXNNS-CYSANHHKSA-N
MW139.24 g/mol
LogP3.19
Rot. Bonds2

About ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine

ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine (PubChem CID 142042526) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine
PubChem CID142042526
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C/C.CC
InChIInChI=1S/C7H11N.C2H6/c1-4-5-7(2)6-8-3;1-2/h4-6H,3H2,1-2H3;1-2H3/b5-4-,7-6-;
InChIKeySHVHOTRHHCXNNS-CYSANHHKSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.19
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-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 139452162
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
CID 143398737
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
N-[(1E,3Z,5Z)-5-(2,2-difluoroethyl)-3-(1-fluoroethyl)octa-1,3,5-trienyl]methanimine
CID 155442270

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine (CID 142042526) is ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine is C=N/C=C(C)\C=C/C.CC.
What is the InChIKey of ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine?
The InChIKey is SHVHOTRHHCXNNS-CYSANHHKSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-4-5-7(2)6-8-3;1-2/h4-6H,3H2,1-2H3;1-2H3/b5-4-,7-6-;.
What are the key properties of ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine?
ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine has a molecular weight of 139.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 142042526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).