6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide

C15H21N3O — CID 115597694

IUPAC6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
SMILESCC(C)(C)CCNC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H21N3O/c1-15(2,3)6-7-17-14(19)12-9-18-13-8-10(16)4-5-11(12)13/h4-5,8-9,18H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyNBVDDPKKDDKRBL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds3

About 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide

6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide (PubChem CID 115597694) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
PubChem CID115597694
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
SMILESCC(C)(C)CCNC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H21N3O/c1-15(2,3)6-7-17-14(19)12-9-18-13-8-10(16)4-5-11(12)13/h4-5,8-9,18H,6-7,16H2,1-3H3,(H,17,19)
InChIKeyNBVDDPKKDDKRBL-UHFFFAOYSA-N
XLogP2.92
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-1H-indole-3-carboxamide
CID 106163847
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61126926
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide (CID 115597694) is 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide is CC(C)(C)CCNC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide?
The InChIKey is NBVDDPKKDDKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)6-7-17-14(19)12-9-18-13-8-10(16)4-5-11(12)13/h4-5,8-9,18H,6-7,16H2,1-3H3,(H,17,19).
What are the key properties of 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide?
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 115597694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).