5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide

C12H25N3O — CID 103356366

IUPAC5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(C)(O)C1
InChIInChI=1S/C12H25N3O/c1-11(2,10(13)14)5-4-7-15-8-6-12(3,16)9-15/h16H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMIVYZERFBHMEPL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.19
Rot. Bonds5

About 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide

5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 103356366) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
PubChem CID103356366
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(C)(O)C1
InChIInChI=1S/C12H25N3O/c1-11(2,10(13)14)5-4-7-15-8-6-12(3,16)9-15/h16H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMIVYZERFBHMEPL-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.19
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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Related Compounds

4-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 65252189
5-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 65258038
N'-hydroxy-5-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 77063874
5-[(2-Hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79387380
5-[Ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 79388024
1-(5-Amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol
CID 103355589
N'-hydroxy-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide
CID 103356309
N'-hydroxy-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 103356320
3-(3-Hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356368
5-(3-Hydroxy-3-methylpyrrolidin-1-yl)pentanimidamide
CID 103356370
3-(3-Hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
CID 103356374
4-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylbutanimidamide
CID 103356376

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide (CID 103356366) is 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(C)(O)C1.
What is the InChIKey of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is MIVYZERFBHMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2,10(13)14)5-4-7-15-8-6-12(3,16)9-15/h16H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide?
5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-methylpyrrolidin-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 103356366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).