5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide

C12H25N3O — CID 112625805

IUPAC5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(CO)C1
InChIInChI=1S/C12H25N3O/c1-12(2,11(13)14)5-3-6-15-7-4-10(8-15)9-16/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyDPLASXKYDJXJCL-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.04
Rot. Bonds6

About 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide

5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 112625805) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID112625805
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(CO)C1
InChIInChI=1S/C12H25N3O/c1-12(2,11(13)14)5-3-6-15-7-4-10(8-15)9-16/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyDPLASXKYDJXJCL-UHFFFAOYSA-N
XLogP1.04
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.04
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

6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65259018
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
CID 65252553
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
CID 107223309

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide (CID 112625805) is 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(CO)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is DPLASXKYDJXJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,11(13)14)5-3-6-15-7-4-10(8-15)9-16/h10,16H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 112625805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).