3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide

C9H19N3O — CID 112625804

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(CO)C1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)4-12-3-2-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyHRIUUJJEKHHCTA-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.13
Rot. Bonds4

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide

3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide (PubChem CID 112625804) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
PubChem CID112625804
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(CO)C1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)4-12-3-2-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H3,10,11)
InChIKeyHRIUUJJEKHHCTA-UHFFFAOYSA-N
XLogP-0.13
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.13
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
3,3,3-Trifluoro-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 113808173
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide (CID 112625804) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
The InChIKey is HRIUUJJEKHHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)11)4-12-3-2-8(5-12)6-13/h7-8,13H,2-6H2,1H3,(H3,10,11).
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide has a molecular weight of 185.27 g/mol, XLogP of -0.13, 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]-2-methylpropanimidamide is sourced from PubChem (CID 112625804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).