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

C7H17N3O — CID 130928964

IUPAC1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine
SMILESCC[C@H](CO)N/C(=N/C)NC
InChIInChI=1S/C7H17N3O/c1-4-6(5-11)10-7(8-2)9-3/h6,11H,4-5H2,1-3H3,(H2,8,9,10)/t6-/m1/s1
InChIKeyGGNYPAORKZJRJI-ZCFIWIBFSA-N
MW159.23 g/mol
LogP-0.45
Rot. Bonds3

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

1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine (PubChem CID 130928964) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine
PubChem CID130928964
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine
SMILESCC[C@H](CO)N/C(=N/C)NC
InChIInChI=1S/C7H17N3O/c1-4-6(5-11)10-7(8-2)9-3/h6,11H,4-5H2,1-3H3,(H2,8,9,10)/t6-/m1/s1
InChIKeyGGNYPAORKZJRJI-ZCFIWIBFSA-N
XLogP-0.45
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.45
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

1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
CID 107222412
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
CID 104882252
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
3-[(2S)-1-hydroxybutan-2-yl]-1,1-dimethylurea
CID 104981793
ethane;ethanol;methane;2-(methylamino)butan-1-ol;pentane
CID 143378994
1-(2-hydroxyethyl)-2,3-dimethylguanidine
CID 22977239
2-methyl-1,3-di(octan-4-yl)guanidine
CID 123864753
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine (CID 130928964) is 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine is CC[C@H](CO)N/C(=N/C)NC.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine?
The InChIKey is GGNYPAORKZJRJI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-6(5-11)10-7(8-2)9-3/h6,11H,4-5H2,1-3H3,(H2,8,9,10)/t6-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine?
1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine has a molecular weight of 159.23 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine is sourced from PubChem (CID 130928964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).