N-amino-N'-methylpropanimidamide;hydrochloride

C4H12ClN3 — CID 161226126

IUPACN-amino-N'-methylpropanimidamide;hydrochloride
SMILESCC/C(=N\C)NN.Cl
InChIInChI=1S/C4H11N3.ClH/c1-3-4(6-2)7-5;/h3,5H2,1-2H3,(H,6,7);1H
InChIKeyUYDMGZMKUMYVNV-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.31
Rot. Bonds1

About N-amino-N'-methylpropanimidamide;hydrochloride

N-amino-N'-methylpropanimidamide;hydrochloride (PubChem CID 161226126) has the molecular formula C4H12ClN3 and a molecular weight of 137.61 g/mol. Its IUPAC name is N-amino-N'-methylpropanimidamide;hydrochloride.

Molecular Properties

Compound NameN-amino-N'-methylpropanimidamide;hydrochloride
PubChem CID161226126
Molecular FormulaC4H12ClN3
Molecular Weight137.61 g/mol
Exact Mass137.07
IUPAC NameN-amino-N'-methylpropanimidamide;hydrochloride
SMILESCC/C(=N\C)NN.Cl
InChIInChI=1S/C4H11N3.ClH/c1-3-4(6-2)7-5;/h3,5H2,1-2H3,(H,6,7);1H
InChIKeyUYDMGZMKUMYVNV-UHFFFAOYSA-N
XLogP0.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methylpropanimidamide;hydrochloride?
The IUPAC name of N-amino-N'-methylpropanimidamide;hydrochloride (CID 161226126) is N-amino-N'-methylpropanimidamide;hydrochloride.
What is the SMILES notation for N-amino-N'-methylpropanimidamide;hydrochloride?
The canonical SMILES for N-amino-N'-methylpropanimidamide;hydrochloride is CC/C(=N\C)NN.Cl.
What is the InChIKey of N-amino-N'-methylpropanimidamide;hydrochloride?
The InChIKey is UYDMGZMKUMYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3.ClH/c1-3-4(6-2)7-5;/h3,5H2,1-2H3,(H,6,7);1H.
What are the key properties of N-amino-N'-methylpropanimidamide;hydrochloride?
N-amino-N'-methylpropanimidamide;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methylpropanimidamide;hydrochloride is sourced from PubChem (CID 161226126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).