4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C10H21N3O2 — CID 102862968

IUPAC4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CCO)C1CCC1)=NO
InChIInChI=1S/C10H21N3O2/c11-10(12-15)5-2-6-13(7-8-14)9-3-1-4-9/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyHUTBXTYUTOJSDF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds7

About 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 102862968) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID102862968
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CCO)C1CCC1)=NO
InChIInChI=1S/C10H21N3O2/c11-10(12-15)5-2-6-13(7-8-14)9-3-1-4-9/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyHUTBXTYUTOJSDF-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
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

4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
CID 102863095
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552
5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
4-[bis(cyclopropylmethyl)amino]-N'-hydroxybutanimidamide
CID 77022682

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 102862968) is 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is NC(CCCN(CCO)C1CCC1)=NO.
What is the InChIKey of 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is HUTBXTYUTOJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(12-15)5-2-6-13(7-8-14)9-3-1-4-9/h9,14-15H,1-8H2,(H2,11,12).
What are the key properties of 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 102862968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).