4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide

C15H21N3O — CID 77045520

IUPAC4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21N3O/c16-15(18-19)12-4-1-10(2-5-12)9-17-14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14,17,19H,3,6-9H2,(H2,16,18)
InChIKeyWPNRNEDCHYYSRD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds4

About 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide

4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77045520) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77045520
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21N3O/c16-15(18-19)12-4-1-10(2-5-12)9-17-14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14,17,19H,3,6-9H2,(H2,16,18)
InChIKeyWPNRNEDCHYYSRD-UHFFFAOYSA-N
XLogP2.06
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789769
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76932736
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574
4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031859
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
CID 103254735
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309951
N-[(1S,2S)-1-amino-1-hydroxy-3-(hydroxyamino)-3-oxopropan-2-yl]-4-[4-[[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]methyl]phenyl]benzamide
CID 89279585
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77045520) is 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(CNC2CC3CCC2C3)cc1.
What is the InChIKey of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WPNRNEDCHYYSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(18-19)12-4-1-10(2-5-12)9-17-14-8-11-3-6-13(14)7-11/h1-2,4-5,11,13-14,17,19H,3,6-9H2,(H2,16,18).
What are the key properties of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 259.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77045520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).