ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine

C11H21N — CID 156743916

IUPACethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
SMILESC=C/N=C(C)/C=C\C(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-10-9(4)7-6-8(2)3;1-2/h5-8H,1H2,2-4H3;1-2H3/b7-6-,10-9+;
InChIKeyFVEUEYWSHPVHMG-MFEGKESPSA-N
MW167.30 g/mol
LogP3.83
Rot. Bonds3

About ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine

ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine (PubChem CID 156743916) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
PubChem CID156743916
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
SMILESC=C/N=C(C)/C=C\C(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-5-10-9(4)7-6-8(2)3;1-2/h5-8H,1H2,2-4H3;1-2H3/b7-6-,10-9+;
InChIKeyFVEUEYWSHPVHMG-MFEGKESPSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.83
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

(NZ)-N-[(E)-5-methylhex-3-en-2-ylidene]hydroxylamine
CID 58526738
(NZ)-N-[(Z)-5-methylhex-3-en-2-ylidene]thiohydroxylamine
CID 144511460
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
CID 145443397
4-bromo-3-fluoro-7-methylocta-1,3,5-triene
CID 123787783
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
(4Z)-2,6-dimethylhepta-2,4-dien-3-ol
CID 143340154
(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
5-methylhex-3-en-2-one;palladium(2+);dichloride
CID 173341273
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 142072925
molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
CID 158020066
ethane;ethenyl N-ethenylethanimidate
CID 143602013

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine (CID 156743916) is ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine is C=C/N=C(C)/C=C\C(C)C.CC.
What is the InChIKey of ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine?
The InChIKey is FVEUEYWSHPVHMG-MFEGKESPSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-5-10-9(4)7-6-8(2)3;1-2/h5-8H,1H2,2-4H3;1-2H3/b7-6-,10-9+;.
What are the key properties of ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine?
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine is sourced from PubChem (CID 156743916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).