2-butyl-1H-indol-6-amine

C12H16N2 — CID 119094791

IUPAC2-butyl-1H-indol-6-amine
SMILESCCCCc1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H16N2/c1-2-3-4-11-7-9-5-6-10(13)8-12(9)14-11/h5-8,14H,2-4,13H2,1H3
InChIKeyBZLPGTSSRLLACH-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.09
Rot. Bonds3

About 2-butyl-1H-indol-6-amine

2-butyl-1H-indol-6-amine (PubChem CID 119094791) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-butyl-1H-indol-6-amine.

Molecular Properties

Compound Name2-butyl-1H-indol-6-amine
PubChem CID119094791
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-butyl-1H-indol-6-amine
SMILESCCCCc1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H16N2/c1-2-3-4-11-7-9-5-6-10(13)8-12(9)14-11/h5-8,14H,2-4,13H2,1H3
InChIKeyBZLPGTSSRLLACH-UHFFFAOYSA-N
XLogP3.09
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-octyl-1H-indole
CID 86224131
2-(ethylsulfonylmethyl)-1H-indol-6-amine
CID 117180095
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-butyl-3H-benzimidazol-5-amine
CID 23301932
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
butyl 2-dodecyl-1H-indole-6-carboxylate
CID 12799939
2-butyl-6-[(2-methylpropan-2-yl)oxy]-1H-indol-5-amine
CID 122529635
formamide;2-pentyl-1H-indole;piperazine
CID 174799337
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
3-(6-chloro-1H-indol-2-yl)propan-1-ol
CID 119085344

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-indol-6-amine?
The IUPAC name of 2-butyl-1H-indol-6-amine (CID 119094791) is 2-butyl-1H-indol-6-amine.
What is the SMILES notation for 2-butyl-1H-indol-6-amine?
The canonical SMILES for 2-butyl-1H-indol-6-amine is CCCCc1cc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-butyl-1H-indol-6-amine?
The InChIKey is BZLPGTSSRLLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-4-11-7-9-5-6-10(13)8-12(9)14-11/h5-8,14H,2-4,13H2,1H3.
What are the key properties of 2-butyl-1H-indol-6-amine?
2-butyl-1H-indol-6-amine has a molecular weight of 188.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-indol-6-amine is sourced from PubChem (CID 119094791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).