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

C14H21N3O — CID 55075927

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N1CCCC1CCCO
InChIInChI=1S/C14H21N3O/c15-14(16)12-7-1-2-8-13(12)17-9-3-5-11(17)6-4-10-18/h1-2,7-8,11,18H,3-6,9-10H2,(H3,15,16)
InChIKeyADEQPTQBGXHAOI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.71
Rot. Bonds5

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

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide (PubChem CID 55075927) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
PubChem CID55075927
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N1CCCC1CCCO
InChIInChI=1S/C14H21N3O/c15-14(16)12-7-1-2-8-13(12)17-9-3-5-11(17)6-4-10-18/h1-2,7-8,11,18H,3-6,9-10H2,(H3,15,16)
InChIKeyADEQPTQBGXHAOI-UHFFFAOYSA-N
XLogP1.71
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.71
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'}

Analyze 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81302532
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 62925971
3,5-difluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 81293355
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962
3-[1-[2-[1-(methylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467578
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboximidamide;hydrochloride
CID 82240615
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methylbenzoic acid
CID 55082983
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 113385847
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide (CID 55075927) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide?
The InChIKey is ADEQPTQBGXHAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(16)12-7-1-2-8-13(12)17-9-3-5-11(17)6-4-10-18/h1-2,7-8,11,18H,3-6,9-10H2,(H3,15,16).
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 55075927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).