2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide

C10H20N4O — CID 77026751

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
SMILESNC(CNCC1CCN(C2CC2)C1)=NO
InChIInChI=1S/C10H20N4O/c11-10(13-15)6-12-5-8-3-4-14(7-8)9-1-2-9/h8-9,12,15H,1-7H2,(H2,11,13)
InChIKeyVEPFDMUBQUVMFS-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.19
Rot. Bonds5

About 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide (PubChem CID 77026751) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
PubChem CID77026751
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
SMILESNC(CNCC1CCN(C2CC2)C1)=NO
InChIInChI=1S/C10H20N4O/c11-10(13-15)6-12-5-8-3-4-14(7-8)9-1-2-9/h8-9,12,15H,1-7H2,(H2,11,13)
InChIKeyVEPFDMUBQUVMFS-UHFFFAOYSA-N
XLogP-0.19
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.19
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

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
CID 77026503
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77027010
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
CID 106136396
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
CID 62310143
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-3-ylacetamide
CID 61487173
1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine
CID 64868822
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 79969166
N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
CID 107413577

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide (CID 77026751) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide is NC(CNCC1CCN(C2CC2)C1)=NO.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide?
The InChIKey is VEPFDMUBQUVMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-10(13-15)6-12-5-8-3-4-14(7-8)9-1-2-9/h8-9,12,15H,1-7H2,(H2,11,13).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide?
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide has a molecular weight of 212.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77026751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).