ethane;(E)-N-methylbut-2-en-1-amine

C7H17N — CID 157191790

IUPACethane;(E)-N-methylbut-2-en-1-amine
SMILESC/C=C/CNC.CC
InChIInChI=1S/C5H11N.C2H6/c1-3-4-5-6-2;1-2/h3-4,6H,5H2,1-2H3;1-2H3/b4-3+;
InChIKeyAPTYSOTZEIKXFG-BJILWQEISA-N
MW115.22 g/mol
LogP1.81
Rot. Bonds2

About ethane;(E)-N-methylbut-2-en-1-amine

ethane;(E)-N-methylbut-2-en-1-amine (PubChem CID 157191790) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is ethane;(E)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N-methylbut-2-en-1-amine
PubChem CID157191790
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Nameethane;(E)-N-methylbut-2-en-1-amine
SMILESC/C=C/CNC.CC
InChIInChI=1S/C5H11N.C2H6/c1-3-4-5-6-2;1-2/h3-4,6H,5H2,1-2H3;1-2H3/b4-3+;
InChIKeyAPTYSOTZEIKXFG-BJILWQEISA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.81
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

(E)-N-(2-bromoethyl)but-2-en-1-amine
CID 107897799
(E)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 148701654
N-ethylbut-2-en-1-amine;hydrochloride
CID 155653042
2-[[(E)-but-2-enyl]amino]acetaldehyde
CID 173274411
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
(E)-4-(methylamino)but-2-en-1-ol
CID 11083838
(Z)-3-chloro-N-methylprop-2-en-1-amine
CID 55286510
N-[(E)-but-2-enyl]-2,3,4,5,6-pentafluoroaniline
CID 107899168
(E)-N-methyl-4-[(Z)-prop-1-enyl]iminobut-2-en-1-amine
CID 129210091
(Z)-but-2-ene;N-methylethanamine
CID 171622053
CID 162303422
CID 162303422
(Z)-N-ethylbut-2-en-1-amine;2-methylpropane
CID 171800093

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methylbut-2-en-1-amine?
The IUPAC name of ethane;(E)-N-methylbut-2-en-1-amine (CID 157191790) is ethane;(E)-N-methylbut-2-en-1-amine.
What is the SMILES notation for ethane;(E)-N-methylbut-2-en-1-amine?
The canonical SMILES for ethane;(E)-N-methylbut-2-en-1-amine is C/C=C/CNC.CC.
What is the InChIKey of ethane;(E)-N-methylbut-2-en-1-amine?
The InChIKey is APTYSOTZEIKXFG-BJILWQEISA-N. The full InChI is InChI=1S/C5H11N.C2H6/c1-3-4-5-6-2;1-2/h3-4,6H,5H2,1-2H3;1-2H3/b4-3+;.
What are the key properties of ethane;(E)-N-methylbut-2-en-1-amine?
ethane;(E)-N-methylbut-2-en-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 157191790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).