1-(1-hydroxypropan-2-yl)-2-methylguanidine

C5H13N3O — CID 62359529

IUPAC1-(1-hydroxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(\N)NC(C)CO
InChIInChI=1S/C5H13N3O/c1-4(3-9)8-5(6)7-2/h4,9H,3H2,1-2H3,(H3,6,7,8)
InChIKeyMTRJNLBMTZPSDN-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.10
Rot. Bonds2

About 1-(1-hydroxypropan-2-yl)-2-methylguanidine

1-(1-hydroxypropan-2-yl)-2-methylguanidine (PubChem CID 62359529) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-2-methylguanidine
PubChem CID62359529
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(1-hydroxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(\N)NC(C)CO
InChIInChI=1S/C5H13N3O/c1-4(3-9)8-5(6)7-2/h4,9H,3H2,1-2H3,(H3,6,7,8)
InChIKeyMTRJNLBMTZPSDN-UHFFFAOYSA-N
XLogP-1.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.10
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-2-methylguanidine (CID 62359529) is 1-(1-hydroxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-2-methylguanidine is C/N=C(\N)NC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-2-methylguanidine?
The InChIKey is MTRJNLBMTZPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(3-9)8-5(6)7-2/h4,9H,3H2,1-2H3,(H3,6,7,8).
What are the key properties of 1-(1-hydroxypropan-2-yl)-2-methylguanidine?
1-(1-hydroxypropan-2-yl)-2-methylguanidine has a molecular weight of 131.18 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 62359529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).