4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine

C10H19N3 — CID 59149619

IUPAC4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine
SMILESCC/N=C/C(=CCNC)/C=N/CC
InChIInChI=1S/C10H19N3/c1-4-12-8-10(6-7-11-3)9-13-5-2/h6,8-9,11H,4-5,7H2,1-3H3/b12-8+,13-9+
InChIKeySDWKYCVXCGUUFO-QHKWOANTSA-N
MW181.28 g/mol
LogP1.31
Rot. Bonds6

About 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine

4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine (PubChem CID 59149619) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine
PubChem CID59149619
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine
SMILESCC/N=C/C(=CCNC)/C=N/CC
InChIInChI=1S/C10H19N3/c1-4-12-8-10(6-7-11-3)9-13-5-2/h6,8-9,11H,4-5,7H2,1-3H3/b12-8+,13-9+
InChIKeySDWKYCVXCGUUFO-QHKWOANTSA-N
XLogP1.31
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine?
The IUPAC name of 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine (CID 59149619) is 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine.
What is the SMILES notation for 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine?
The canonical SMILES for 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine is CC/N=C/C(=CCNC)/C=N/CC.
What is the InChIKey of 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine?
The InChIKey is SDWKYCVXCGUUFO-QHKWOANTSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-12-8-10(6-7-11-3)9-13-5-2/h6,8-9,11H,4-5,7H2,1-3H3/b12-8+,13-9+.
What are the key properties of 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine?
4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylimino-3-(ethyliminomethyl)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 59149619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).