(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine

C8H14N2 — CID 130178000

IUPAC(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
SMILESC=C/C(=C\C=N\C)CNC
InChIInChI=1S/C8H14N2/c1-4-8(7-10-3)5-6-9-2/h4-6,10H,1,7H2,2-3H3/b8-5+,9-6+
InChIKeyFPLPXYHKHUSHPN-XVYDYJIPSA-N
MW138.21 g/mol
LogP1.02
Rot. Bonds4

About (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine

(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine (PubChem CID 130178000) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
PubChem CID130178000
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
SMILESC=C/C(=C\C=N\C)CNC
InChIInChI=1S/C8H14N2/c1-4-8(7-10-3)5-6-9-2/h4-6,10H,1,7H2,2-3H3/b8-5+,9-6+
InChIKeyFPLPXYHKHUSHPN-XVYDYJIPSA-N
XLogP1.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine?
The IUPAC name of (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine (CID 130178000) is (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine.
What is the SMILES notation for (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine?
The canonical SMILES for (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine is C=C/C(=C\C=N\C)CNC.
What is the InChIKey of (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine?
The InChIKey is FPLPXYHKHUSHPN-XVYDYJIPSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(7-10-3)5-6-9-2/h4-6,10H,1,7H2,2-3H3/b8-5+,9-6+.
What are the key properties of (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine?
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine is sourced from PubChem (CID 130178000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).