N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide

C7H14N2 — CID 138751746

IUPACN-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N(/C=N/C)CC
InChIInChI=1S/C7H14N2/c1-5-9(6-8-4)7(2)3/h6H,2,5H2,1,3-4H3/b8-6+
InChIKeyQUXPYZJDAQPMSF-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds3

About N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide

N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide (PubChem CID 138751746) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide
PubChem CID138751746
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N(/C=N/C)CC
InChIInChI=1S/C7H14N2/c1-5-9(6-8-4)7(2)3/h6H,2,5H2,1,3-4H3/b8-6+
InChIKeyQUXPYZJDAQPMSF-SOFGYWHQSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide (CID 138751746) is N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide is C=C(C)N(/C=N/C)CC.
What is the InChIKey of N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
The InChIKey is QUXPYZJDAQPMSF-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-9(6-8-4)7(2)3/h6H,2,5H2,1,3-4H3/b8-6+.
What are the key properties of N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 138751746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).