N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide

C10H21N3O2 — CID 77036189

IUPACN'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
SMILESCC(C)OCCN1CCCC1C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(2)15-7-6-13-5-3-4-9(13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyPKYSPMGZTHBIKC-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.62
Rot. Bonds5

About N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide (PubChem CID 77036189) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
PubChem CID77036189
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide
SMILESCC(C)OCCN1CCCC1C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(2)15-7-6-13-5-3-4-9(13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyPKYSPMGZTHBIKC-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
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

1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77073403
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 59148061
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
N'-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboximidamide
CID 115514096
N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
CID 77036256
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
1-(2-propan-2-yloxyethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681888
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide (CID 77036189) is N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide is CC(C)OCCN1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide?
The InChIKey is PKYSPMGZTHBIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(2)15-7-6-13-5-3-4-9(13)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide has a molecular weight of 215.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).