N'-hydroxy-2-(propylamino)ethanimidamide

C5H13N3O — CID 60711995

IUPACN'-hydroxy-2-(propylamino)ethanimidamide
SMILESCCCNC/C(N)=N/O
InChIInChI=1S/C5H13N3O/c1-2-3-7-4-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8)
InChIKeyPYKGKVBSNAUTLK-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.27
Rot. Bonds4

About N'-hydroxy-2-(propylamino)ethanimidamide

N'-hydroxy-2-(propylamino)ethanimidamide (PubChem CID 60711995) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is N'-hydroxy-2-(propylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propylamino)ethanimidamide
PubChem CID60711995
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC NameN'-hydroxy-2-(propylamino)ethanimidamide
SMILESCCCNC/C(N)=N/O
InChIInChI=1S/C5H13N3O/c1-2-3-7-4-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8)
InChIKeyPYKGKVBSNAUTLK-UHFFFAOYSA-N
XLogP-0.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(propylamino)acetamide
CID 15839438
2-[(2-amino-2-hydroxyiminoethyl)amino]ethyl carbamate
CID 83204997
3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
2-[[(2Z)-2-amino-2-hydroxyiminoethyl]amino]-N'-hydroxyethanimidamide;2-(cyanomethylamino)acetonitrile
CID 157354439
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide
CID 77031116
2-(2,2-difluoroethylamino)-N'-hydroxyethanimidamide
CID 115407292
N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
CID 107413577
2-(tert-butylamino)-N'-hydroxyethanimidamide
CID 60718842
1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(propylamino)ethanimidamide (CID 60711995) is N'-hydroxy-2-(propylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(propylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(propylamino)ethanimidamide is CCCNC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(propylamino)ethanimidamide?
The InChIKey is PYKGKVBSNAUTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-2-3-7-4-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8).
What are the key properties of N'-hydroxy-2-(propylamino)ethanimidamide?
N'-hydroxy-2-(propylamino)ethanimidamide has a molecular weight of 131.18 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propylamino)ethanimidamide is sourced from PubChem (CID 60711995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).