(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide

C7H15N3 — CID 123455148

IUPAC(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide
SMILESCCN(C)/C=C\C(N)=N\C
InChIInChI=1S/C7H15N3/c1-4-10(3)6-5-7(8)9-2/h5-6H,4H2,1-3H3,(H2,8,9)/b6-5-
InChIKeyQONWKJKTIXIGBS-WAYWQWQTSA-N
MW141.22 g/mol
LogP0.44
Rot. Bonds3

About (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide

(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide (PubChem CID 123455148) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide
PubChem CID123455148
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide
SMILESCCN(C)/C=C\C(N)=N\C
InChIInChI=1S/C7H15N3/c1-4-10(3)6-5-7(8)9-2/h5-6H,4H2,1-3H3,(H2,8,9)/b6-5-
InChIKeyQONWKJKTIXIGBS-WAYWQWQTSA-N
XLogP0.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide?
The IUPAC name of (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide (CID 123455148) is (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide?
The canonical SMILES for (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide is CCN(C)/C=C\C(N)=N\C.
What is the InChIKey of (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide?
The InChIKey is QONWKJKTIXIGBS-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-10(3)6-5-7(8)9-2/h5-6H,4H2,1-3H3,(H2,8,9)/b6-5-.
What are the key properties of (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide?
(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide is sourced from PubChem (CID 123455148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).