N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide

C12H26N4O — CID 77032142

IUPACN'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
SMILESCC(CNCC1CCN(C(C)C)C1)C(N)=NO
InChIInChI=1S/C12H26N4O/c1-9(2)16-5-4-11(8-16)7-14-6-10(3)12(13)15-17/h9-11,14,17H,4-8H2,1-3H3,(H2,13,15)
InChIKeyBJRXXDZLWGIXRL-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.69
Rot. Bonds6

About N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide

N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide (PubChem CID 77032142) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
PubChem CID77032142
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
SMILESCC(CNCC1CCN(C(C)C)C1)C(N)=NO
InChIInChI=1S/C12H26N4O/c1-9(2)16-5-4-11(8-16)7-14-6-10(3)12(13)15-17/h9-11,14,17H,4-8H2,1-3H3,(H2,13,15)
InChIKeyBJRXXDZLWGIXRL-UHFFFAOYSA-N
XLogP0.69
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.69
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

1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77029960
methyl 2-acetamido-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanoate
CID 103243768
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
CID 77050193
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
2,2-dimethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 81412153
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77027010
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide (CID 77032142) is N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide is CC(CNCC1CCN(C(C)C)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide?
The InChIKey is BJRXXDZLWGIXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-9(2)16-5-4-11(8-16)7-14-6-10(3)12(13)15-17/h9-11,14,17H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide is sourced from PubChem (CID 77032142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).