(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine

C8H16N2 — CID 90453976

IUPAC(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine
SMILES[H]/N=C(C)/C(C)=C/N(C)CC
InChIInChI=1S/C8H16N2/c1-5-10(4)6-7(2)8(3)9/h6,9H,5H2,1-4H3/b7-6+,9-8+
InChIKeyCKGMJVZIQZQUKW-BLHCBFLLSA-N
MW140.23 g/mol
LogP1.88
Rot. Bonds3

About (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine

(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine (PubChem CID 90453976) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine
PubChem CID90453976
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine
SMILES[H]/N=C(C)/C(C)=C/N(C)CC
InChIInChI=1S/C8H16N2/c1-5-10(4)6-7(2)8(3)9/h6,9H,5H2,1-4H3/b7-6+,9-8+
InChIKeyCKGMJVZIQZQUKW-BLHCBFLLSA-N
XLogP1.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine?
The IUPAC name of (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine (CID 90453976) is (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine?
The canonical SMILES for (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine is [H]/N=C(C)/C(C)=C/N(C)CC.
What is the InChIKey of (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine?
The InChIKey is CKGMJVZIQZQUKW-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-10(4)6-7(2)8(3)9/h6,9H,5H2,1-4H3/b7-6+,9-8+.
What are the key properties of (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine?
(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine is sourced from PubChem (CID 90453976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).