(E)-but-2-ene;N-methylethenamine

C7H15N — CID 142150509

IUPAC(E)-but-2-ene;N-methylethenamine
SMILESC/C=C/C.C=CNC
InChIInChI=1S/C4H8.C3H7N/c2*1-3-4-2/h3-4H,1-2H3;3-4H,1H2,2H3/b4-3+;
InChIKeyCUTHEGDXJTVEQN-BJILWQEISA-N
MW113.20 g/mol
LogP1.93
Rot. Bonds1

About (E)-but-2-ene;N-methylethenamine

(E)-but-2-ene;N-methylethenamine (PubChem CID 142150509) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-but-2-ene;N-methylethenamine.

Molecular Properties

Compound Name(E)-but-2-ene;N-methylethenamine
PubChem CID142150509
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-but-2-ene;N-methylethenamine
SMILESC/C=C/C.C=CNC
InChIInChI=1S/C4H8.C3H7N/c2*1-3-4-2/h3-4H,1-2H3;3-4H,1H2,2H3/b4-3+;
InChIKeyCUTHEGDXJTVEQN-BJILWQEISA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methylethenamine
CID 143349321
but-2-ene;bis(prop-1-ene)
CID 157334183
ethane-1,2-diol;N-methylethenamine
CID 88730727
(Z)-but-2-ene;ethene;bis(prop-1-ene)
CID 160593626
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
ethane;N-methylethenamine;methylsulfanylethene
CID 142827366
buta-1,3-diene;but-2-ene;methane
CID 161269069
butanedioic acid;N-methylethenamine
CID 159613877
bis(N-methylmethanamine);prop-1-enylsilane
CID 160830383
CID 161256128
CID 161256128
bis(but-2-ene);hydrate
CID 129188484
prop-1-ene
CID 162178440

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;N-methylethenamine?
The IUPAC name of (E)-but-2-ene;N-methylethenamine (CID 142150509) is (E)-but-2-ene;N-methylethenamine.
What is the SMILES notation for (E)-but-2-ene;N-methylethenamine?
The canonical SMILES for (E)-but-2-ene;N-methylethenamine is C/C=C/C.C=CNC.
What is the InChIKey of (E)-but-2-ene;N-methylethenamine?
The InChIKey is CUTHEGDXJTVEQN-BJILWQEISA-N. The full InChI is InChI=1S/C4H8.C3H7N/c2*1-3-4-2/h3-4H,1-2H3;3-4H,1H2,2H3/b4-3+;.
What are the key properties of (E)-but-2-ene;N-methylethenamine?
(E)-but-2-ene;N-methylethenamine has a molecular weight of 113.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;N-methylethenamine is sourced from PubChem (CID 142150509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).