ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine

C9H17N — CID 143499023

IUPACethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
SMILESC=C.C=C/C(=C\C)CNC
InChIInChI=1S/C7H13N.C2H4/c1-4-7(5-2)6-8-3;1-2/h4-5,8H,1,6H2,2-3H3;1-2H2/b7-5+;
InChIKeyLRNSHGJATRJINS-GZOLSCHFSA-N
MW139.24 g/mol
LogP2.14
Rot. Bonds3

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

ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine (PubChem CID 143499023) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Nameethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
PubChem CID143499023
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
SMILESC=C.C=C/C(=C\C)CNC
InChIInChI=1S/C7H13N.C2H4/c1-4-7(5-2)6-8-3;1-2/h4-5,8H,1,6H2,2-3H3;1-2H2/b7-5+;
InChIKeyLRNSHGJATRJINS-GZOLSCHFSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142154773
(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
CID 143603614
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143345944
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
CID 144636958
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
4-ethenylhexa-1,4-diene
CID 85441048
(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
CID 145065726

Frequently Asked Questions

What is the IUPAC name of ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine?
The IUPAC name of ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine (CID 143499023) is ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine.
What is the SMILES notation for ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine?
The canonical SMILES for ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine is C=C.C=C/C(=C\C)CNC.
What is the InChIKey of ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine?
The InChIKey is LRNSHGJATRJINS-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H13N.C2H4/c1-4-7(5-2)6-8-3;1-2/h4-5,8H,1,6H2,2-3H3;1-2H2/b7-5+;.
What are the key properties of ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine?
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine is sourced from PubChem (CID 143499023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).