4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide

C14H21N3O2 — CID 102862865

IUPAC4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(N(CCCO)C2CCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)11-5-7-13(8-6-11)17(9-2-10-18)12-3-1-4-12/h5-8,12,18-19H,1-4,9-10H2,(H2,15,16)
InChIKeyDAHHNIDTHCHDTK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds6

About 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide

4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 102862865) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID102862865
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(N(CCCO)C2CCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)11-5-7-13(8-6-11)17(9-2-10-18)12-3-1-4-12/h5-8,12,18-19H,1-4,9-10H2,(H2,15,16)
InChIKeyDAHHNIDTHCHDTK-UHFFFAOYSA-N
XLogP1.52
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
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(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
N'-hydroxy-4-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 61446172
3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
CID 102859413
5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
CID 62228812
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984188
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide (CID 102862865) is 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(N(CCCO)C2CCC2)cc1.
What is the InChIKey of 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is DAHHNIDTHCHDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)11-5-7-13(8-6-11)17(9-2-10-18)12-3-1-4-12/h5-8,12,18-19H,1-4,9-10H2,(H2,15,16).
What are the key properties of 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide?
4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102862865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).