ethane;N-ethenylpent-1-en-3-imine

C9H17N — CID 143591103

IUPACethane;N-ethenylpent-1-en-3-imine
SMILESC=C/N=C(\C=C)CC.CC
InChIInChI=1S/C7H11N.C2H6/c1-4-7(5-2)8-6-3;1-2/h4,6H,1,3,5H2,2H3;1-2H3/b8-7+;
InChIKeyOVGTWLJKTFTSAD-USRGLUTNSA-N
MW139.24 g/mol
LogP3.19
Rot. Bonds3

About ethane;N-ethenylpent-1-en-3-imine

ethane;N-ethenylpent-1-en-3-imine (PubChem CID 143591103) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;N-ethenylpent-1-en-3-imine.

Molecular Properties

Compound Nameethane;N-ethenylpent-1-en-3-imine
PubChem CID143591103
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;N-ethenylpent-1-en-3-imine
SMILESC=C/N=C(\C=C)CC.CC
InChIInChI=1S/C7H11N.C2H6/c1-4-7(5-2)8-6-3;1-2/h4,6H,1,3,5H2,2H3;1-2H3/b8-7+;
InChIKeyOVGTWLJKTFTSAD-USRGLUTNSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Related Compounds

butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
N,N-dimethylmethanamine;N-pent-1-en-3-ylidenehydroxylamine;silane
CID 174664874
N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine
CID 170087615
N-ethenyl-5,5,5-trifluoropent-1-en-3-imine
CID 146740408
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
CID 166958594
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
ethane;ethyl N-ethenylethanimidothioate
CID 143602053
ethyl N-ethenylprop-2-enimidate
CID 143813400
1-(4,4-difluoropiperidin-1-yl)-N-ethenylpropan-1-imine
CID 123826277
(Z)-N-ethenylnon-2-en-4-imine
CID 144801095
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylpent-1-en-3-imine?
The IUPAC name of ethane;N-ethenylpent-1-en-3-imine (CID 143591103) is ethane;N-ethenylpent-1-en-3-imine.
What is the SMILES notation for ethane;N-ethenylpent-1-en-3-imine?
The canonical SMILES for ethane;N-ethenylpent-1-en-3-imine is C=C/N=C(\C=C)CC.CC.
What is the InChIKey of ethane;N-ethenylpent-1-en-3-imine?
The InChIKey is OVGTWLJKTFTSAD-USRGLUTNSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-4-7(5-2)8-6-3;1-2/h4,6H,1,3,5H2,2H3;1-2H3/b8-7+;.
What are the key properties of ethane;N-ethenylpent-1-en-3-imine?
ethane;N-ethenylpent-1-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylpent-1-en-3-imine is sourced from PubChem (CID 143591103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).