2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

C8H17N3O2 — CID 77027459

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(NCC(O)C1CC1)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-5(8(9)11-13)10-4-7(12)6-2-3-6/h5-7,10,12-13H,2-4H2,1H3,(H2,9,11)
InChIKeyBPZBYQOTHUWKDF-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.52
Rot. Bonds5

About 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77027459) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID77027459
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(NCC(O)C1CC1)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-5(8(9)11-13)10-4-7(12)6-2-3-6/h5-7,10,12-13H,2-4H2,1H3,(H2,9,11)
InChIKeyBPZBYQOTHUWKDF-UHFFFAOYSA-N
XLogP-0.52
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
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

N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
N'-hydroxy-2-[(2-hydroxy-4-methylpentyl)amino]propanimidamide
CID 107153055
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
3-[(2-cyclopropyl-2-hydroxyethyl)amino]butanenitrile
CID 63296171
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
CID 77027648
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115716454

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 77027459) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CC(NCC(O)C1CC1)C(N)=NO.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is BPZBYQOTHUWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(8(9)11-13)10-4-7(12)6-2-3-6/h5-7,10,12-13H,2-4H2,1H3,(H2,9,11).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77027459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).