3-(dimethylamino)propanimidamide;dihydrochloride

C5H15Cl2N3 — CID 47002520

IUPAC3-(dimethylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(C)C
InChIInChI=1S/C5H13N3.2ClH/c1-8(2)4-3-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H
InChIKeyCMWXEVQQWMFRHI-UHFFFAOYSA-N
MW188.10 g/mol
LogP0.72
Rot. Bonds3

About 3-(dimethylamino)propanimidamide;dihydrochloride

3-(dimethylamino)propanimidamide;dihydrochloride (PubChem CID 47002520) has the molecular formula C5H15Cl2N3 and a molecular weight of 188.10 g/mol. Its IUPAC name is 3-(dimethylamino)propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propanimidamide;dihydrochloride
PubChem CID47002520
Molecular FormulaC5H15Cl2N3
Molecular Weight188.10 g/mol
Exact Mass187.06
IUPAC Name3-(dimethylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCN(C)C
InChIInChI=1S/C5H13N3.2ClH/c1-8(2)4-3-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H
InChIKeyCMWXEVQQWMFRHI-UHFFFAOYSA-N
XLogP0.72
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 50.72
H-Bond Donors ≤ 52
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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Related Compounds

3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
butanediimidamide;dihydrochloride
CID 88614640
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
CID 79387020
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
1-(3-amino-3-iminopropyl)-3-ethyl-1,3-dimethylurea
CID 79163328
3-hydroxypropanimidamide;hydrochloride
CID 22004099
octadecanediimidamide;dihydrochloride
CID 24741615
4-[methyl(pentyl)amino]butanimidamide
CID 43294979
2-[hydroxy(methyl)amino]ethanimidamide
CID 87382268

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanimidamide;dihydrochloride?
The IUPAC name of 3-(dimethylamino)propanimidamide;dihydrochloride (CID 47002520) is 3-(dimethylamino)propanimidamide;dihydrochloride.
What is the SMILES notation for 3-(dimethylamino)propanimidamide;dihydrochloride?
The canonical SMILES for 3-(dimethylamino)propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)propanimidamide;dihydrochloride?
The InChIKey is CMWXEVQQWMFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.2ClH/c1-8(2)4-3-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H.
What are the key properties of 3-(dimethylamino)propanimidamide;dihydrochloride?
3-(dimethylamino)propanimidamide;dihydrochloride has a molecular weight of 188.10 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanimidamide;dihydrochloride is sourced from PubChem (CID 47002520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).