2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C14H23N3O2 — CID 61446175

IUPAC2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(CCO)Cc1ccccc1C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-2-3-8-17(9-10-18)11-12-6-4-5-7-13(12)14(15)16-19/h4-7,18-19H,2-3,8-11H2,1H3,(H2,15,16)
InChIKeySINHFTHFEAQVEL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds8

About 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 61446175) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID61446175
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(CCO)Cc1ccccc1C(N)=NO
InChIInChI=1S/C14H23N3O2/c1-2-3-8-17(9-10-18)11-12-6-4-5-7-13(12)14(15)16-19/h4-7,18-19H,2-3,8-11H2,1H3,(H2,15,16)
InChIKeySINHFTHFEAQVEL-UHFFFAOYSA-N
XLogP1.38
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
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

2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698
2-(butylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
CID 43615814
2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
CID 24698282
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 61446274
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 61446175) is 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CCCCN(CCO)Cc1ccccc1C(N)=NO.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SINHFTHFEAQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-8-17(9-10-18)11-12-6-4-5-7-13(12)14(15)16-19/h4-7,18-19H,2-3,8-11H2,1H3,(H2,15,16).
What are the key properties of 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61446175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).