benzene;ethane;(Z)-N-ethylpent-2-en-1-imine

C15H25N — CID 142345035

IUPACbenzene;ethane;(Z)-N-ethylpent-2-en-1-imine
SMILESCC.CC/C=C\C=N\CC.c1ccccc1
InChIInChI=1S/C7H13N.C6H6.C2H6/c1-3-5-6-7-8-4-2;1-2-4-6-5-3-1;1-2/h5-7H,3-4H2,1-2H3;1-6H;1-2H3/b6-5-,8-7+;;
InChIKeyRPHCTYPGPIFGBC-JJHCVCPLSA-N
MW219.37 g/mol
LogP4.76
Rot. Bonds3

About benzene;ethane;(Z)-N-ethylpent-2-en-1-imine

benzene;ethane;(Z)-N-ethylpent-2-en-1-imine (PubChem CID 142345035) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is benzene;ethane;(Z)-N-ethylpent-2-en-1-imine.

Molecular Properties

Compound Namebenzene;ethane;(Z)-N-ethylpent-2-en-1-imine
PubChem CID142345035
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Namebenzene;ethane;(Z)-N-ethylpent-2-en-1-imine
SMILESCC.CC/C=C\C=N\CC.c1ccccc1
InChIInChI=1S/C7H13N.C6H6.C2H6/c1-3-5-6-7-8-4-2;1-2-4-6-5-3-1;1-2/h5-7H,3-4H2,1-2H3;1-6H;1-2H3/b6-5-,8-7+;;
InChIKeyRPHCTYPGPIFGBC-JJHCVCPLSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.76
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 benzene;ethane;(Z)-N-ethylpent-2-en-1-imine?
The IUPAC name of benzene;ethane;(Z)-N-ethylpent-2-en-1-imine (CID 142345035) is benzene;ethane;(Z)-N-ethylpent-2-en-1-imine.
What is the SMILES notation for benzene;ethane;(Z)-N-ethylpent-2-en-1-imine?
The canonical SMILES for benzene;ethane;(Z)-N-ethylpent-2-en-1-imine is CC.CC/C=C\C=N\CC.c1ccccc1.
What is the InChIKey of benzene;ethane;(Z)-N-ethylpent-2-en-1-imine?
The InChIKey is RPHCTYPGPIFGBC-JJHCVCPLSA-N. The full InChI is InChI=1S/C7H13N.C6H6.C2H6/c1-3-5-6-7-8-4-2;1-2-4-6-5-3-1;1-2/h5-7H,3-4H2,1-2H3;1-6H;1-2H3/b6-5-,8-7+;;.
What are the key properties of benzene;ethane;(Z)-N-ethylpent-2-en-1-imine?
benzene;ethane;(Z)-N-ethylpent-2-en-1-imine has a molecular weight of 219.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;(Z)-N-ethylpent-2-en-1-imine is sourced from PubChem (CID 142345035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).