5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol

C10H21N3O — CID 166845470

IUPAC5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol
SMILES[H]/N=C1/C(C(C)C)N(C(C)C)C(O)N1C
InChIInChI=1S/C10H21N3O/c1-6(2)8-9(11)12(5)10(14)13(8)7(3)4/h6-8,10-11,14H,1-5H3/b11-9-
InChIKeyHJODHXPAQDBTNF-LUAWRHEFSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds2

About 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol

5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol (PubChem CID 166845470) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol.

Molecular Properties

Compound Name5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol
PubChem CID166845470
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol
SMILES[H]/N=C1/C(C(C)C)N(C(C)C)C(O)N1C
InChIInChI=1S/C10H21N3O/c1-6(2)8-9(11)12(5)10(14)13(8)7(3)4/h6-8,10-11,14H,1-5H3/b11-9-
InChIKeyHJODHXPAQDBTNF-LUAWRHEFSA-N
XLogP0.92
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 3227

Frequently Asked Questions

What is the IUPAC name of 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol?
The IUPAC name of 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol (CID 166845470) is 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol.
What is the SMILES notation for 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol?
The canonical SMILES for 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol is [H]/N=C1/C(C(C)C)N(C(C)C)C(O)N1C.
What is the InChIKey of 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol?
The InChIKey is HJODHXPAQDBTNF-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H21N3O/c1-6(2)8-9(11)12(5)10(14)13(8)7(3)4/h6-8,10-11,14H,1-5H3/b11-9-.
What are the key properties of 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol?
5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol has a molecular weight of 199.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-methyl-3,4-di(propan-2-yl)imidazolidin-2-ol is sourced from PubChem (CID 166845470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).