(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine

C7H14N2 — CID 22084454

IUPAC(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESCCN(C)/C=C/C=N/C
InChIInChI=1S/C7H14N2/c1-4-9(3)7-5-6-8-2/h5-7H,4H2,1-3H3/b7-5+,8-6+
InChIKeyDPAPWFCFCDUAHZ-KQQUZDAGSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds3

About (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine

(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 22084454) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID22084454
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESCCN(C)/C=C/C=N/C
InChIInChI=1S/C7H14N2/c1-4-9(3)7-5-6-8-2/h5-7H,4H2,1-3H3/b7-5+,8-6+
InChIKeyDPAPWFCFCDUAHZ-KQQUZDAGSA-N
XLogP1.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine (CID 22084454) is (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine is CCN(C)/C=C/C=N/C.
What is the InChIKey of (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is DPAPWFCFCDUAHZ-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-9(3)7-5-6-8-2/h5-7H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine?
(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 22084454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).