2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C16H23N3O — CID 77022698

IUPAC2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CN(CC1CC1)CC1CC1
InChIInChI=1S/C16H23N3O/c17-16(18-20)15-4-2-1-3-14(15)11-19(9-12-5-6-12)10-13-7-8-13/h1-4,12-13,20H,5-11H2,(H2,17,18)
InChIKeyJGVTZNHIFHSTIJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.40
Rot. Bonds7

About 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77022698) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77022698
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CN(CC1CC1)CC1CC1
InChIInChI=1S/C16H23N3O/c17-16(18-20)15-4-2-1-3-14(15)11-19(9-12-5-6-12)10-13-7-8-13/h1-4,12-13,20H,5-11H2,(H2,17,18)
InChIKeyJGVTZNHIFHSTIJ-UHFFFAOYSA-N
XLogP2.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[bis(cyclopropylmethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116621
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116611
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
3-[[bis(cyclopropylmethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115607
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999576
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77022698) is 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1CN(CC1CC1)CC1CC1.
What is the InChIKey of 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JGVTZNHIFHSTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(18-20)15-4-2-1-3-14(15)11-19(9-12-5-6-12)10-13-7-8-13/h1-4,12-13,20H,5-11H2,(H2,17,18).
What are the key properties of 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77022698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).