N-ethyl-2-methyliminobut-3-en-1-amine

C7H14N2 — CID 130440572

IUPACN-ethyl-2-methyliminobut-3-en-1-amine
SMILESC=C/C(CNCC)=N\C
InChIInChI=1S/C7H14N2/c1-4-7(8-3)6-9-5-2/h4,9H,1,5-6H2,2-3H3/b8-7+
InChIKeyVXPMGRDANLVRTK-BQYQJAHWSA-N
MW126.20 g/mol
LogP0.85
Rot. Bonds4

About N-ethyl-2-methyliminobut-3-en-1-amine

N-ethyl-2-methyliminobut-3-en-1-amine (PubChem CID 130440572) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethyl-2-methyliminobut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyliminobut-3-en-1-amine
PubChem CID130440572
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethyl-2-methyliminobut-3-en-1-amine
SMILESC=C/C(CNCC)=N\C
InChIInChI=1S/C7H14N2/c1-4-7(8-3)6-9-5-2/h4,9H,1,5-6H2,2-3H3/b8-7+
InChIKeyVXPMGRDANLVRTK-BQYQJAHWSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.85
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 N-ethyl-2-methyliminobut-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyliminobut-3-en-1-amine (CID 130440572) is N-ethyl-2-methyliminobut-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyliminobut-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyliminobut-3-en-1-amine is C=C/C(CNCC)=N\C.
What is the InChIKey of N-ethyl-2-methyliminobut-3-en-1-amine?
The InChIKey is VXPMGRDANLVRTK-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(8-3)6-9-5-2/h4,9H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of N-ethyl-2-methyliminobut-3-en-1-amine?
N-ethyl-2-methyliminobut-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyliminobut-3-en-1-amine is sourced from PubChem (CID 130440572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).