ethane;N-[(Z)-2-methylbut-1-enyl]methanimine

C8H17N — CID 142314232

IUPACethane;N-[(Z)-2-methylbut-1-enyl]methanimine
SMILESC=N/C=C(/C)CC.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-6(2)5-7-3;1-2/h5H,3-4H2,1-2H3;1-2H3/b6-5-;
InChIKeyDJVLJBLVIFXGHS-YSMBQZINSA-N
MW127.23 g/mol
LogP3.03
Rot. Bonds2

About ethane;N-[(Z)-2-methylbut-1-enyl]methanimine

ethane;N-[(Z)-2-methylbut-1-enyl]methanimine (PubChem CID 142314232) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methylbut-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methylbut-1-enyl]methanimine
PubChem CID142314232
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;N-[(Z)-2-methylbut-1-enyl]methanimine
SMILESC=N/C=C(/C)CC.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-6(2)5-7-3;1-2/h5H,3-4H2,1-2H3;1-2H3/b6-5-;
InChIKeyDJVLJBLVIFXGHS-YSMBQZINSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(Z)-2-methylbut-1-enyl]propan-1-imine
CID 89331090
2-methyl-N-(2-methylbut-1-enyl)propan-1-imine
CID 90886341
N-(2-methylprop-1-enyl)methanimine
CID 91078328
N-(2-ethylbut-1-enyl)propan-1-imine
CID 118048893
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-[(1E)-2,3-dimethylbuta-1,3-dienyl]ethanimine
CID 123219705
2-methyl-N-(2-methylbut-1-enyl)prop-2-en-1-imine
CID 123224777
N-(2-methylbut-1-enyl)methanimine
CID 123446549
N-(2,3,3-trimethylbut-1-enyl)methanimine
CID 123648567

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-methylbut-1-enyl]methanimine?
The IUPAC name of ethane;N-[(Z)-2-methylbut-1-enyl]methanimine (CID 142314232) is ethane;N-[(Z)-2-methylbut-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-2-methylbut-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-2-methylbut-1-enyl]methanimine is C=N/C=C(/C)CC.CC.
What is the InChIKey of ethane;N-[(Z)-2-methylbut-1-enyl]methanimine?
The InChIKey is DJVLJBLVIFXGHS-YSMBQZINSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-4-6(2)5-7-3;1-2/h5H,3-4H2,1-2H3;1-2H3/b6-5-;.
What are the key properties of ethane;N-[(Z)-2-methylbut-1-enyl]methanimine?
ethane;N-[(Z)-2-methylbut-1-enyl]methanimine has a molecular weight of 127.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-methylbut-1-enyl]methanimine is sourced from PubChem (CID 142314232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).