(E)-2-ethenylbut-2-en-1-amine

C6H11N — CID 142131613

IUPAC(E)-2-ethenylbut-2-en-1-amine
SMILESC=C/C(=C\C)CN
InChIInChI=1S/C6H11N/c1-3-6(4-2)5-7/h3-4H,1,5,7H2,2H3/b6-4+
InChIKeyAZGRVQZFIFMBJX-GQCTYLIASA-N
MW97.16 g/mol
LogP1.08
Rot. Bonds2

About (E)-2-ethenylbut-2-en-1-amine

(E)-2-ethenylbut-2-en-1-amine (PubChem CID 142131613) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (E)-2-ethenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenylbut-2-en-1-amine
PubChem CID142131613
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(E)-2-ethenylbut-2-en-1-amine
SMILESC=C/C(=C\C)CN
InChIInChI=1S/C6H11N/c1-3-6(4-2)5-7/h3-4H,1,5,7H2,2H3/b6-4+
InChIKeyAZGRVQZFIFMBJX-GQCTYLIASA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
4-ethenylhexa-1,4-diene
CID 85441048
(2E,4E)-2-ethenyl-5-methylhepta-2,4-dien-1-amine
CID 166720058
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
2-amino-N-[(Z)-3-ethenylpent-3-enyl]-N-methylacetamide
CID 162387344
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenylbut-2-en-1-amine?
The IUPAC name of (E)-2-ethenylbut-2-en-1-amine (CID 142131613) is (E)-2-ethenylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-ethenylbut-2-en-1-amine?
The canonical SMILES for (E)-2-ethenylbut-2-en-1-amine is C=C/C(=C\C)CN.
What is the InChIKey of (E)-2-ethenylbut-2-en-1-amine?
The InChIKey is AZGRVQZFIFMBJX-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11N/c1-3-6(4-2)5-7/h3-4H,1,5,7H2,2H3/b6-4+.
What are the key properties of (E)-2-ethenylbut-2-en-1-amine?
(E)-2-ethenylbut-2-en-1-amine has a molecular weight of 97.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenylbut-2-en-1-amine is sourced from PubChem (CID 142131613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).