1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine

C10H23N3O — CID 106190240

IUPAC1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(C)(C)C(C)(C)O
InChIInChI=1S/C10H23N3O/c1-6-7-12-8(11)13-9(2,3)10(4,5)14/h14H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyQADFIENJOJDTOP-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds4

About 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine

1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine (PubChem CID 106190240) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
PubChem CID106190240
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(C)(C)C(C)(C)O
InChIInChI=1S/C10H23N3O/c1-6-7-12-8(11)13-9(2,3)10(4,5)14/h14H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyQADFIENJOJDTOP-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
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-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine?
The IUPAC name of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine (CID 106190240) is 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine.
What is the SMILES notation for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine?
The canonical SMILES for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine is CCC/N=C(\N)NC(C)(C)C(C)(C)O.
What is the InChIKey of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine?
The InChIKey is QADFIENJOJDTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-6-7-12-8(11)13-9(2,3)10(4,5)14/h14H,6-7H2,1-5H3,(H3,11,12,13).
What are the key properties of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine?
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine has a molecular weight of 201.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine is sourced from PubChem (CID 106190240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).