2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide

C8H17N3O — CID 77072344

IUPAC2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
SMILESCC(NCCC1CC1)C(N)=NO
InChIInChI=1S/C8H17N3O/c1-6(8(9)11-12)10-5-4-7-2-3-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyHUOCZWACHPXNNH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.51
Rot. Bonds5

About 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide

2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide (PubChem CID 77072344) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
PubChem CID77072344
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
SMILESCC(NCCC1CC1)C(N)=NO
InChIInChI=1S/C8H17N3O/c1-6(8(9)11-12)10-5-4-7-2-3-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyHUOCZWACHPXNNH-UHFFFAOYSA-N
XLogP0.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 77027459
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466
N'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide (CID 77072344) is 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide is CC(NCCC1CC1)C(N)=NO.
What is the InChIKey of 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide?
The InChIKey is HUOCZWACHPXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(8(9)11-12)10-5-4-7-2-3-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide?
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77072344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).