3-hydroxypropanimidamide;hydrochloride

C3H9ClN2O — CID 22004099

IUPAC3-hydroxypropanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCO
InChIInChI=1S/C3H8N2O.ClH/c4-3(5)1-2-6;/h6H,1-2H2,(H3,4,5);1H
InChIKeyLVUCVBRYYIBZHA-UHFFFAOYSA-N
MW124.57 g/mol
LogP-0.27
Rot. Bonds2

About 3-hydroxypropanimidamide;hydrochloride

3-hydroxypropanimidamide;hydrochloride (PubChem CID 22004099) has the molecular formula C3H9ClN2O and a molecular weight of 124.57 g/mol. Its IUPAC name is 3-hydroxypropanimidamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxypropanimidamide;hydrochloride
PubChem CID22004099
Molecular FormulaC3H9ClN2O
Molecular Weight124.57 g/mol
Exact Mass124.04
IUPAC Name3-hydroxypropanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCO
InChIInChI=1S/C3H8N2O.ClH/c4-3(5)1-2-6;/h6H,1-2H2,(H3,4,5);1H
InChIKeyLVUCVBRYYIBZHA-UHFFFAOYSA-N
XLogP-0.27
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
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

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CID 88614640
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CID 158249360
octadecanediimidamide;dihydrochloride
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3-chloropropanimidamide
CID 4174774
3-aminopropanimidamide;hydrobromide
CID 12715904
4,4,4-trifluorobutanimidamide;hydrochloride
CID 71758218
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
5-(3-hydroxypropylsulfanyl)pentanimidamide
CID 66113429
4,4-diiodobutanimidamide
CID 57304657
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
5-hydroxy-4-methylpentanimidamide
CID 91614670

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropanimidamide;hydrochloride?
The IUPAC name of 3-hydroxypropanimidamide;hydrochloride (CID 22004099) is 3-hydroxypropanimidamide;hydrochloride.
What is the SMILES notation for 3-hydroxypropanimidamide;hydrochloride?
The canonical SMILES for 3-hydroxypropanimidamide;hydrochloride is Cl.[H]/N=C(/N)CCO.
What is the InChIKey of 3-hydroxypropanimidamide;hydrochloride?
The InChIKey is LVUCVBRYYIBZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.ClH/c4-3(5)1-2-6;/h6H,1-2H2,(H3,4,5);1H.
What are the key properties of 3-hydroxypropanimidamide;hydrochloride?
3-hydroxypropanimidamide;hydrochloride has a molecular weight of 124.57 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanimidamide;hydrochloride is sourced from PubChem (CID 22004099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).