1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine

C6H15N3O — CID 59598562

IUPAC1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)N[C@H](C)CO
InChIInChI=1S/C6H15N3O/c1-5(4-10)9-6(7-2)8-3/h5,10H,4H2,1-3H3,(H2,7,8,9)/t5-/m1/s1
InChIKeyROGCAQWTFGCTNZ-RXMQYKEDSA-N
MW145.21 g/mol
LogP-0.84
Rot. Bonds2

About 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine

1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine (PubChem CID 59598562) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine
PubChem CID59598562
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)N[C@H](C)CO
InChIInChI=1S/C6H15N3O/c1-5(4-10)9-6(7-2)8-3/h5,10H,4H2,1-3H3,(H2,7,8,9)/t5-/m1/s1
InChIKeyROGCAQWTFGCTNZ-RXMQYKEDSA-N
XLogP-0.84
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.84
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-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine (CID 59598562) is 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine is C/N=C(\NC)N[C@H](C)CO.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine?
The InChIKey is ROGCAQWTFGCTNZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H15N3O/c1-5(4-10)9-6(7-2)8-3/h5,10H,4H2,1-3H3,(H2,7,8,9)/t5-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine?
1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine has a molecular weight of 145.21 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]-2,3-dimethylguanidine is sourced from PubChem (CID 59598562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).