5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide

C11H23N3O — CID 65258038

IUPAC5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,10(12)13)5-3-6-14-7-4-9(15)8-14/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyOJMIEWHISNCNRP-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.80
Rot. Bonds5

About 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide

5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 65258038) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
PubChem CID65258038
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(O)C1
InChIInChI=1S/C11H23N3O/c1-11(2,10(12)13)5-3-6-14-7-4-9(15)8-14/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyOJMIEWHISNCNRP-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.80
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 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide (CID 65258038) is 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(O)C1.
What is the InChIKey of 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is OJMIEWHISNCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,10(12)13)5-3-6-14-7-4-9(15)8-14/h9,15H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).