ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine

C18H39N — CID 143802989

IUPACethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine
SMILESC=C/N=C(\C=C/C)C(C)(CC)CC.CC.CC.CC
InChIInChI=1S/C12H21N.3C2H6/c1-6-10-11(13-9-4)12(5,7-2)8-3;3*1-2/h6,9-10H,4,7-8H2,1-3,5H3;3*1-2H3/b10-6-,13-11+;;;
InChIKeyTYAGBRRMHOKQHK-WVEWHOEQSA-N
MW269.52 g/mol
LogP7.05
Rot. Bonds5

About ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine

ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine (PubChem CID 143802989) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine
PubChem CID143802989
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Nameethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine
SMILESC=C/N=C(\C=C/C)C(C)(CC)CC.CC.CC.CC
InChIInChI=1S/C12H21N.3C2H6/c1-6-10-11(13-9-4)12(5,7-2)8-3;3*1-2/h6,9-10H,4,7-8H2,1-3,5H3;3*1-2H3/b10-6-,13-11+;;;
InChIKeyTYAGBRRMHOKQHK-WVEWHOEQSA-N
XLogP7.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine?
The IUPAC name of ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine (CID 143802989) is ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine.
What is the SMILES notation for ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine?
The canonical SMILES for ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine is C=C/N=C(\C=C/C)C(C)(CC)CC.CC.CC.CC.
What is the InChIKey of ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine?
The InChIKey is TYAGBRRMHOKQHK-WVEWHOEQSA-N. The full InChI is InChI=1S/C12H21N.3C2H6/c1-6-10-11(13-9-4)12(5,7-2)8-3;3*1-2/h6,9-10H,4,7-8H2,1-3,5H3;3*1-2H3/b10-6-,13-11+;;;.
What are the key properties of ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine?
ethane;(Z)-N-ethenyl-5-ethyl-5-methylhept-2-en-4-imine has a molecular weight of 269.52 g/mol, XLogP of 7.05, 5 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-ethyl-5-methylhept-2-en-4-imine is sourced from PubChem (CID 143802989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).