4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide

C10H21N3O — CID 65252189

IUPAC4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(O)C1
InChIInChI=1S/C10H21N3O/c1-10(2,9(11)12)4-6-13-5-3-8(14)7-13/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyKPHMOQRVXJOHOE-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.41
Rot. Bonds4

About 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide

4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 65252189) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID65252189
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(O)C1
InChIInChI=1S/C10H21N3O/c1-10(2,9(11)12)4-6-13-5-3-8(14)7-13/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyKPHMOQRVXJOHOE-UHFFFAOYSA-N
XLogP0.41
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide (CID 65252189) is 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCC(O)C1.
What is the InChIKey of 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is KPHMOQRVXJOHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,9(11)12)4-6-13-5-3-8(14)7-13/h8,14H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).