N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide

C14H21N3O2 — CID 112625722

IUPACN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
SMILESN/C(CC(c1ccccc1)N1CCC(CO)C1)=N/O
InChIInChI=1S/C14H21N3O2/c15-14(16-19)8-13(12-4-2-1-3-5-12)17-7-6-11(9-17)10-18/h1-5,11,13,18-19H,6-10H2,(H2,15,16)
InChIKeyNNYMQDKVIAAIPH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds5

About N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide

N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide (PubChem CID 112625722) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
PubChem CID112625722
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
SMILESN/C(CC(c1ccccc1)N1CCC(CO)C1)=N/O
InChIInChI=1S/C14H21N3O2/c15-14(16-19)8-13(12-4-2-1-3-5-12)17-7-6-11(9-17)10-18/h1-5,11,13,18-19H,6-10H2,(H2,15,16)
InChIKeyNNYMQDKVIAAIPH-UHFFFAOYSA-N
XLogP1.18
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949092
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-phenylpropanimidamide
CID 76981291
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949180
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77000776
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 114797720
N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
CID 55117730
3-(4,4-dimethylazepan-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77064506
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
CID 55117921
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
CID 75386168
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949126

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide (CID 112625722) is N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide is N/C(CC(c1ccccc1)N1CCC(CO)C1)=N/O.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide?
The InChIKey is NNYMQDKVIAAIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)8-13(12-4-2-1-3-5-12)17-7-6-11(9-17)10-18/h1-5,11,13,18-19H,6-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide is sourced from PubChem (CID 112625722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).