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

C15H23N3O2 — CID 102862932

IUPAC2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C15H23N3O2/c16-15(17-20)14-8-2-1-5-12(14)11-18(9-4-10-19)13-6-3-7-13/h1-2,5,8,13,19-20H,3-4,6-7,9-11H2,(H2,16,17)
InChIKeyXWVWFBGUCKEVLL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds7

About 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102862932) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102862932
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C15H23N3O2/c16-15(17-20)14-8-2-1-5-12(14)11-18(9-4-10-19)13-6-3-7-13/h1-2,5,8,13,19-20H,3-4,6-7,9-11H2,(H2,16,17)
InChIKeyXWVWFBGUCKEVLL-UHFFFAOYSA-N
XLogP1.52
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
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

3-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115730
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117850
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 102862932) is 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccccc1CN(CCCO)C1CCC1.
What is the InChIKey of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XWVWFBGUCKEVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(17-20)14-8-2-1-5-12(14)11-18(9-4-10-19)13-6-3-7-13/h1-2,5,8,13,19-20H,3-4,6-7,9-11H2,(H2,16,17).
What are the key properties of 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102862932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).