N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide

C11H22N4O — CID 76986945

IUPACN'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H22N4O/c1-9(11(12)13-16)15-7-4-10(8-15)14-5-2-3-6-14/h9-10,16H,2-8H2,1H3,(H2,12,13)
InChIKeyODAXUTVABMMGNY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.29
Rot. Bonds3

About N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide

N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide (PubChem CID 76986945) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
PubChem CID76986945
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H22N4O/c1-9(11(12)13-16)15-7-4-10(8-15)14-5-2-3-6-14/h9-10,16H,2-8H2,1H3,(H2,12,13)
InChIKeyODAXUTVABMMGNY-UHFFFAOYSA-N
XLogP0.29
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.29
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

N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986941
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide
CID 77034332
1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 130220331
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanethioamide
CID 79937889
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxybutanimidamide
CID 79935274
3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357229
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 106669726

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide (CID 76986945) is N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide is CC(C(N)=NO)N1CCC(N2CCCC2)C1.
What is the InChIKey of N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
The InChIKey is ODAXUTVABMMGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(11(12)13-16)15-7-4-10(8-15)14-5-2-3-6-14/h9-10,16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide has a molecular weight of 226.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 76986945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).