3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide

C12H24N4O — CID 77026503

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NCC1CCN(C2CC2)C1
InChIInChI=1S/C12H24N4O/c1-9(6-12(13)15-17)14-7-10-4-5-16(8-10)11-2-3-11/h9-11,14,17H,2-8H2,1H3,(H2,13,15)
InChIKeyIVQIZPUHYZXWQK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.59
Rot. Bonds6

About 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide (PubChem CID 77026503) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
PubChem CID77026503
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NCC1CCN(C2CC2)C1
InChIInChI=1S/C12H24N4O/c1-9(6-12(13)15-17)14-7-10-4-5-16(8-10)11-2-3-11/h9-11,14,17H,2-8H2,1H3,(H2,13,15)
InChIKeyIVQIZPUHYZXWQK-UHFFFAOYSA-N
XLogP0.59
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.59
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

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77027010
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
CID 77026751
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 60975768
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 71916218
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
CID 62310143
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide (CID 77026503) is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)NCC1CCN(C2CC2)C1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
The InChIKey is IVQIZPUHYZXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(6-12(13)15-17)14-7-10-4-5-16(8-10)11-2-3-11/h9-11,14,17H,2-8H2,1H3,(H2,13,15).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide has a molecular weight of 240.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77026503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).