(E)-but-2-ene;ethane;N-methylethanimine

C9H21N — CID 142605383

IUPAC(E)-but-2-ene;ethane;N-methylethanimine
SMILESC/C=C/C.C/C=N/C.CC
InChIInChI=1S/C4H8.C3H7N.C2H6/c2*1-3-4-2;1-2/h3-4H,1-2H3;3H,1-2H3;1-2H3/b2*4-3+;
InChIKeyGLJDNAGSSBQNRH-SYWGCQIGSA-N
MW143.27 g/mol
LogP3.32
Rot. Bonds

About (E)-but-2-ene;ethane;N-methylethanimine

(E)-but-2-ene;ethane;N-methylethanimine (PubChem CID 142605383) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (E)-but-2-ene;ethane;N-methylethanimine.

Molecular Properties

Compound Name(E)-but-2-ene;ethane;N-methylethanimine
PubChem CID142605383
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(E)-but-2-ene;ethane;N-methylethanimine
SMILESC/C=C/C.C/C=N/C.CC
InChIInChI=1S/C4H8.C3H7N.C2H6/c2*1-3-4-2;1-2/h3-4H,1-2H3;3H,1-2H3;1-2H3/b2*4-3+;
InChIKeyGLJDNAGSSBQNRH-SYWGCQIGSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-tert-butylbut-2-en-1-imine
CID 5702557
(Z)-N-tert-butylbut-2-en-1-imine
CID 5356232
Ethylidene-allylamine
CID 12231233
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(E)-5-Azahepta-2,4-diene
CID 5463161
(2E,4E,6E,8E,10E)-N-butyldodeca-2,4,6,8,10-pentaen-1-imine
CID 6440149
But-2-enylidene-tert-butyl-amine
CID 243520
N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
CID 49866444
(E)-N-propylbut-2-en-1-imine
CID 10866289
(E,E)-N-(trimethylsilylmethyl)but-2-en-1-imine
CID 13287313
sorbaldehyde N-allylimine
CID 129811003
N-ethylbut-2-en-1-imine
CID 138000

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;ethane;N-methylethanimine?
The IUPAC name of (E)-but-2-ene;ethane;N-methylethanimine (CID 142605383) is (E)-but-2-ene;ethane;N-methylethanimine.
What is the SMILES notation for (E)-but-2-ene;ethane;N-methylethanimine?
The canonical SMILES for (E)-but-2-ene;ethane;N-methylethanimine is C/C=C/C.C/C=N/C.CC.
What is the InChIKey of (E)-but-2-ene;ethane;N-methylethanimine?
The InChIKey is GLJDNAGSSBQNRH-SYWGCQIGSA-N. The full InChI is InChI=1S/C4H8.C3H7N.C2H6/c2*1-3-4-2;1-2/h3-4H,1-2H3;3H,1-2H3;1-2H3/b2*4-3+;.
What are the key properties of (E)-but-2-ene;ethane;N-methylethanimine?
(E)-but-2-ene;ethane;N-methylethanimine has a molecular weight of 143.27 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;ethane;N-methylethanimine is sourced from PubChem (CID 142605383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).