3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide

C8H17N3O — CID 62943569

IUPAC3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(O)C1
InChIInChI=1S/C8H17N3O/c1-6(8(9)10)4-11-3-2-7(12)5-11/h6-7,12H,2-5H2,1H3,(H3,9,10)
InChIKeySZFKLLYAOFRQNM-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.37
Rot. Bonds3

About 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide

3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide (PubChem CID 62943569) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
PubChem CID62943569
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(O)C1
InChIInChI=1S/C8H17N3O/c1-6(8(9)10)4-11-3-2-7(12)5-11/h6-7,12H,2-5H2,1H3,(H3,9,10)
InChIKeySZFKLLYAOFRQNM-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide (CID 62943569) is 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
The InChIKey is SZFKLLYAOFRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(8(9)10)4-11-3-2-7(12)5-11/h6-7,12H,2-5H2,1H3,(H3,9,10).
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide?
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 62943569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).