3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide

C8H17N3O — CID 112625800

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(CO)C1
InChIInChI=1S/C8H17N3O/c9-8(10)2-4-11-3-1-7(5-11)6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeyLKRCEIDGYMZEFD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.37
Rot. Bonds4

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide

3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide (PubChem CID 112625800) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
PubChem CID112625800
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(CO)C1
InChIInChI=1S/C8H17N3O/c9-8(10)2-4-11-3-1-7(5-11)6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeyLKRCEIDGYMZEFD-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.37
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

3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103370812
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 113808051
5-Imino-1,4-dimethylpyrrolidin-2-ol
CID 156255754
3-[Methyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 61556738
3-[Ethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 61576099
3-[Ethyl(oxolan-3-ylmethyl)amino]-2-methylpropanimidamide
CID 61577274
2-Methyl-3-[methyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 61578020
3-[2-Methylpropyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 61662614
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-[3-(Methoxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 64599142
4-[3-(Methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 64599550
3-[3-(Methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 64599754

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide (CID 112625800) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
The InChIKey is LKRCEIDGYMZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10)2-4-11-3-1-7(5-11)6-12/h7,12H,1-6H2,(H3,9,10).
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide is sourced from PubChem (CID 112625800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).