3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide

C10H21N3O — CID 62468812

IUPAC3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCCC1CCCO
InChIInChI=1S/C10H21N3O/c11-10(12)5-7-13-6-1-3-9(13)4-2-8-14/h9,14H,1-8H2,(H3,11,12)
InChIKeyUQMUZPWPFQOGRW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds6

About 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide (PubChem CID 62468812) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide
PubChem CID62468812
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCCC1CCCO
InChIInChI=1S/C10H21N3O/c11-10(12)5-7-13-6-1-3-9(13)4-2-8-14/h9,14H,1-8H2,(H3,11,12)
InChIKeyUQMUZPWPFQOGRW-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
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-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide (CID 62468812) is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCCC1CCCO.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide?
The InChIKey is UQMUZPWPFQOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-10(12)5-7-13-6-1-3-9(13)4-2-8-14/h9,14H,1-8H2,(H3,11,12).
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide?
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide is sourced from PubChem (CID 62468812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).