3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide

C5H12N2O3 — CID 151214089

IUPAC3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(CO)(CO)CO
InChIInChI=1S/C5H12N2O3/c6-4(7)5(1-8,2-9)3-10/h8-10H,1-3H2,(H3,6,7)
InChIKeyNKWWHXKPFARYBT-UHFFFAOYSA-N
MW148.16 g/mol
LogP-2.11
Rot. Bonds4

About 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide

3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide (PubChem CID 151214089) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide.

Molecular Properties

Compound Name3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide
PubChem CID151214089
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(CO)(CO)CO
InChIInChI=1S/C5H12N2O3/c6-4(7)5(1-8,2-9)3-10/h8-10H,1-3H2,(H3,6,7)
InChIKeyNKWWHXKPFARYBT-UHFFFAOYSA-N
XLogP-2.11
TPSA110.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-2.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

2,2-dichloropropanediimidamide
CID 4114057
2-hydroxy-2-methylbutanimidamide
CID 23422942
2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid
CID 123261205
2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2-diaminopropanimidamide
CID 87520938
2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate
CID 10013241
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
2,2,4,4-tetramethylhexanimidamide
CID 123171886
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanimidamide;hydrochloride
CID 158084062

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide?
The IUPAC name of 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide (CID 151214089) is 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide.
What is the SMILES notation for 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide?
The canonical SMILES for 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide is [H]/N=C(\N)C(CO)(CO)CO.
What is the InChIKey of 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide?
The InChIKey is NKWWHXKPFARYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c6-4(7)5(1-8,2-9)3-10/h8-10H,1-3H2,(H3,6,7).
What are the key properties of 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide?
3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide has a molecular weight of 148.16 g/mol, XLogP of -2.11, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide is sourced from PubChem (CID 151214089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).