4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide

C10H21N3O — CID 102863095

IUPAC4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCO)C1CCC1
InChIInChI=1S/C10H21N3O/c11-10(12)5-2-6-13(7-8-14)9-3-1-4-9/h9,14H,1-8H2,(H3,11,12)
InChIKeyUTMOIKTWLCJMEB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.55
Rot. Bonds7

About 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide

4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide (PubChem CID 102863095) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
PubChem CID102863095
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCO)C1CCC1
InChIInChI=1S/C10H21N3O/c11-10(12)5-2-6-13(7-8-14)9-3-1-4-9/h9,14H,1-8H2,(H3,11,12)
InChIKeyUTMOIKTWLCJMEB-UHFFFAOYSA-N
XLogP0.55
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.55
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'}

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Related Compounds

2-[[Cyclobutyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113808183
5-[Cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994373
4-[2-Hydroxyethyl(methyl)amino]butanimidamide
CID 60961421
3-[2-Hydroxyethyl(methyl)amino]pentanimidamide
CID 60961694
3-[2-Hydroxyethyl(methyl)amino]butanimidamide
CID 60961695
4-[Ethyl(2-hydroxyethyl)amino]butanimidamide
CID 60980632
3-[Ethyl(2-hydroxyethyl)amino]pentanimidamide
CID 60980767
3-[Ethyl(2-hydroxyethyl)amino]butanimidamide
CID 60980768
4-[Bis(2-hydroxyethyl)amino]butanimidamide
CID 61233573
3-[Bis(2-hydroxyethyl)amino]pentanimidamide
CID 61233575
3-[Bis(2-hydroxyethyl)amino]butanimidamide
CID 61233759
3-[2-Hydroxyethyl(propyl)amino]propanimidamide
CID 61424991

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide?
The IUPAC name of 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide (CID 102863095) is 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide.
What is the SMILES notation for 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide?
The canonical SMILES for 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(CCO)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide?
The InChIKey is UTMOIKTWLCJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-10(12)5-2-6-13(7-8-14)9-3-1-4-9/h9,14H,1-8H2,(H3,11,12).
What are the key properties of 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide?
4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide is sourced from PubChem (CID 102863095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).