ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine

C10H19N — CID 142142696

IUPACethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine
SMILESC=C/C(C)=C\N=C\CC.CC
InChIInChI=1S/C8H13N.C2H6/c1-4-6-9-7-8(3)5-2;1-2/h5-7H,2,4H2,1,3H3;1-2H3/b8-7-,9-6+;
InChIKeyKYIJFAAACQAFBZ-DAHMJHCMSA-N
MW153.27 g/mol
LogP3.58
Rot. Bonds3

About ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine

ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine (PubChem CID 142142696) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine.

Molecular Properties

Compound Nameethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine
PubChem CID142142696
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine
SMILESC=C/C(C)=C\N=C\CC.CC
InChIInChI=1S/C8H13N.C2H6/c1-4-6-9-7-8(3)5-2;1-2/h5-7H,2,4H2,1,3H3;1-2H3/b8-7-,9-6+;
InChIKeyKYIJFAAACQAFBZ-DAHMJHCMSA-N
XLogP3.58
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 ≤ 53.58
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

2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine
CID 166998224
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-but-1-enylbutan-1-imine
CID 53833808
N-pent-1-enylpentan-1-imine
CID 53963202
ethane;3H-pyrrole
CID 54050481
ethane;3H-pyrrole
CID 54102107
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 88228740

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine?
The IUPAC name of ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine (CID 142142696) is ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine.
What is the SMILES notation for ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine?
The canonical SMILES for ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine is C=C/C(C)=C\N=C\CC.CC.
What is the InChIKey of ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine?
The InChIKey is KYIJFAAACQAFBZ-DAHMJHCMSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-4-6-9-7-8(3)5-2;1-2/h5-7H,2,4H2,1,3H3;1-2H3/b8-7-,9-6+;.
What are the key properties of ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine?
ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-2-methylbuta-1,3-dienyl]propan-1-imine is sourced from PubChem (CID 142142696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).