N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide

C15H21N3O — CID 110833571

IUPACN-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)(C)CN)n(C)c2c1
InChIInChI=1S/C15H21N3O/c1-10-5-6-11-8-13(18(4)12(11)7-10)14(19)17-15(2,3)9-16/h5-8H,9,16H2,1-4H3,(H,17,19)
InChIKeyVPTYTRHGHNUOOM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide

N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide (PubChem CID 110833571) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide
PubChem CID110833571
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NC(C)(C)CN)n(C)c2c1
InChIInChI=1S/C15H21N3O/c1-10-5-6-11-8-13(18(4)12(11)7-10)14(19)17-15(2,3)9-16/h5-8H,9,16H2,1-4H3,(H,17,19)
InChIKeyVPTYTRHGHNUOOM-UHFFFAOYSA-N
XLogP1.95
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide (CID 110833571) is N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide is Cc1ccc2cc(C(=O)NC(C)(C)CN)n(C)c2c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide?
The InChIKey is VPTYTRHGHNUOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-5-6-11-8-13(18(4)12(11)7-10)14(19)17-15(2,3)9-16/h5-8H,9,16H2,1-4H3,(H,17,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1,6-dimethylindole-2-carboxamide is sourced from PubChem (CID 110833571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).