4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide

C19H23N3O — CID 142410839

IUPAC4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1cc(C)c(-c2cccc3c2CCC3O)c(C)c1
InChIInChI=1S/C19H23N3O/c1-11-9-13(19(20)22-21-3)10-12(2)18(11)16-6-4-5-15-14(16)7-8-17(15)23/h4-6,9-10,17,21,23H,7-8H2,1-3H3,(H2,20,22)
InChIKeyZCEYPUQBUKFMEO-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.79
Rot. Bonds3

About 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide

4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide (PubChem CID 142410839) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide
PubChem CID142410839
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1cc(C)c(-c2cccc3c2CCC3O)c(C)c1
InChIInChI=1S/C19H23N3O/c1-11-9-13(19(20)22-21-3)10-12(2)18(11)16-6-4-5-15-14(16)7-8-17(15)23/h4-6,9-10,17,21,23H,7-8H2,1-3H3,(H2,20,22)
InChIKeyZCEYPUQBUKFMEO-UHFFFAOYSA-N
XLogP2.79
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.79
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide (CID 142410839) is 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide is CN/N=C(\N)c1cc(C)c(-c2cccc3c2CCC3O)c(C)c1.
What is the InChIKey of 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
The InChIKey is ZCEYPUQBUKFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-11-9-13(19(20)22-21-3)10-12(2)18(11)16-6-4-5-15-14(16)7-8-17(15)23/h4-6,9-10,17,21,23H,7-8H2,1-3H3,(H2,20,22).
What are the key properties of 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide?
4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide has a molecular weight of 309.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-3,5-dimethyl-N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 142410839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).