2-methylpentyl 6-amino-1H-indole-3-carboxylate

C15H20N2O2 — CID 103284577

IUPAC2-methylpentyl 6-amino-1H-indole-3-carboxylate
SMILESCCCC(C)COC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H20N2O2/c1-3-4-10(2)9-19-15(18)13-8-17-14-7-11(16)5-6-12(13)14/h5-8,10,17H,3-4,9,16H2,1-2H3
InChIKeyNBHBHMICFKYQOQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.34
Rot. Bonds5

About 2-methylpentyl 6-amino-1H-indole-3-carboxylate

2-methylpentyl 6-amino-1H-indole-3-carboxylate (PubChem CID 103284577) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methylpentyl 6-amino-1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 6-amino-1H-indole-3-carboxylate
PubChem CID103284577
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methylpentyl 6-amino-1H-indole-3-carboxylate
SMILESCCCC(C)COC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C15H20N2O2/c1-3-4-10(2)9-19-15(18)13-8-17-14-7-11(16)5-6-12(13)14/h5-8,10,17H,3-4,9,16H2,1-2H3
InChIKeyNBHBHMICFKYQOQ-UHFFFAOYSA-N
XLogP3.34
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 6-amino-1H-indole-3-carboxylate
CID 61309847
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
2-methylpentyl 2-sulfanylbenzoate
CID 107019144
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928
2-(2-methylpentoxycarbonyl)benzoate
CID 154202187
2-methylpentyl 4-amino-2,6-difluorobenzoate
CID 114217298

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 6-amino-1H-indole-3-carboxylate?
The IUPAC name of 2-methylpentyl 6-amino-1H-indole-3-carboxylate (CID 103284577) is 2-methylpentyl 6-amino-1H-indole-3-carboxylate.
What is the SMILES notation for 2-methylpentyl 6-amino-1H-indole-3-carboxylate?
The canonical SMILES for 2-methylpentyl 6-amino-1H-indole-3-carboxylate is CCCC(C)COC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 2-methylpentyl 6-amino-1H-indole-3-carboxylate?
The InChIKey is NBHBHMICFKYQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-10(2)9-19-15(18)13-8-17-14-7-11(16)5-6-12(13)14/h5-8,10,17H,3-4,9,16H2,1-2H3.
What are the key properties of 2-methylpentyl 6-amino-1H-indole-3-carboxylate?
2-methylpentyl 6-amino-1H-indole-3-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 6-amino-1H-indole-3-carboxylate is sourced from PubChem (CID 103284577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).