5-(3-hydroxypyrrolidin-1-yl)pentanimidamide

C9H19N3O — CID 62943761

IUPAC5-(3-hydroxypyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCC(O)C1
InChIInChI=1S/C9H19N3O/c10-9(11)3-1-2-5-12-6-4-8(13)7-12/h8,13H,1-7H2,(H3,10,11)
InChIKeyFASCDBSFMZKMFL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds5

About 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide

5-(3-hydroxypyrrolidin-1-yl)pentanimidamide (PubChem CID 62943761) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidin-1-yl)pentanimidamide
PubChem CID62943761
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name5-(3-hydroxypyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCC(O)C1
InChIInChI=1S/C9H19N3O/c10-9(11)3-1-2-5-12-6-4-8(13)7-12/h8,13H,1-7H2,(H3,10,11)
InChIKeyFASCDBSFMZKMFL-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
The IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide (CID 62943761) is 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CCC(O)C1.
What is the InChIKey of 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
The InChIKey is FASCDBSFMZKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-9(11)3-1-2-5-12-6-4-8(13)7-12/h8,13H,1-7H2,(H3,10,11).
What are the key properties of 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide?
5-(3-hydroxypyrrolidin-1-yl)pentanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 62943761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).