benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine

C13H21N — CID 142493209

IUPACbenzene;ethane;N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C.CC.c1ccccc1
InChIInChI=1S/C6H6.C5H9N.C2H6/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-2/h1-6H;3-5H,1-2H3;1-2H3/b;5-3-,6-4+;
InChIKeyCTFHGWGQBABXOU-VJCSDPJPSA-N
MW191.32 g/mol
LogP4.32
Rot. Bonds1

About benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine

benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 142493209) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Namebenzene;ethane;N-[(Z)-prop-1-enyl]ethanimine
PubChem CID142493209
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Namebenzene;ethane;N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C.CC.c1ccccc1
InChIInChI=1S/C6H6.C5H9N.C2H6/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-2/h1-6H;3-5H,1-2H3;1-2H3/b;5-3-,6-4+;
InChIKeyCTFHGWGQBABXOU-VJCSDPJPSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.32
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;N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine (CID 142493209) is benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C\C.CC.c1ccccc1.
What is the InChIKey of benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is CTFHGWGQBABXOU-VJCSDPJPSA-N. The full InChI is InChI=1S/C6H6.C5H9N.C2H6/c1-2-4-6-5-3-1;1-3-5-6-4-2;1-2/h1-6H;3-5H,1-2H3;1-2H3/b;5-3-,6-4+;.
What are the key properties of benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine?
benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 191.32 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-[(Z)-prop-1-enyl]ethanimine is sourced from PubChem (CID 142493209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).