N'-amino-2-methylpropanimidamide;dihydrochloride

C4H13Cl2N3 — CID 167730390

IUPACN'-amino-2-methylpropanimidamide;dihydrochloride
SMILESCC(C)/C(N)=N/N.Cl.Cl
InChIInChI=1S/C4H11N3.2ClH/c1-3(2)4(5)7-6;;/h3H,6H2,1-2H3,(H2,5,7);2*1H
InChIKeyNXFSENHNROBUSL-UHFFFAOYSA-N
MW174.08 g/mol
LogP0.72
Rot. Bonds1

About N'-amino-2-methylpropanimidamide;dihydrochloride

N'-amino-2-methylpropanimidamide;dihydrochloride (PubChem CID 167730390) has the molecular formula C4H13Cl2N3 and a molecular weight of 174.08 g/mol. Its IUPAC name is N'-amino-2-methylpropanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-amino-2-methylpropanimidamide;dihydrochloride
PubChem CID167730390
Molecular FormulaC4H13Cl2N3
Molecular Weight174.08 g/mol
Exact Mass173.05
IUPAC NameN'-amino-2-methylpropanimidamide;dihydrochloride
SMILESCC(C)/C(N)=N/N.Cl.Cl
InChIInChI=1S/C4H11N3.2ClH/c1-3(2)4(5)7-6;;/h3H,6H2,1-2H3,(H2,5,7);2*1H
InChIKeyNXFSENHNROBUSL-UHFFFAOYSA-N
XLogP0.72
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.08
LogP ≤ 50.72
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-2-methylpropanimidamide;dihydrochloride?
The IUPAC name of N'-amino-2-methylpropanimidamide;dihydrochloride (CID 167730390) is N'-amino-2-methylpropanimidamide;dihydrochloride.
What is the SMILES notation for N'-amino-2-methylpropanimidamide;dihydrochloride?
The canonical SMILES for N'-amino-2-methylpropanimidamide;dihydrochloride is CC(C)/C(N)=N/N.Cl.Cl.
What is the InChIKey of N'-amino-2-methylpropanimidamide;dihydrochloride?
The InChIKey is NXFSENHNROBUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3.2ClH/c1-3(2)4(5)7-6;;/h3H,6H2,1-2H3,(H2,5,7);2*1H.
What are the key properties of N'-amino-2-methylpropanimidamide;dihydrochloride?
N'-amino-2-methylpropanimidamide;dihydrochloride has a molecular weight of 174.08 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-methylpropanimidamide;dihydrochloride is sourced from PubChem (CID 167730390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).