tert-butyl formate;1-methylindol-5-amine

C14H20N2O2 — CID 174939180

IUPACtert-butyl formate;1-methylindol-5-amine
SMILESCC(C)(C)OC=O.Cn1ccc2cc(N)ccc21
InChIInChI=1S/C9H10N2.C5H10O2/c1-11-5-4-7-6-8(10)2-3-9(7)11;1-5(2,3)7-4-6/h2-6H,10H2,1H3;4H,1-3H3
InChIKeyGFMCJJIVWDKFKA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.72
Rot. Bonds1

About tert-butyl formate;1-methylindol-5-amine

tert-butyl formate;1-methylindol-5-amine (PubChem CID 174939180) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl formate;1-methylindol-5-amine.

Molecular Properties

Compound Nametert-butyl formate;1-methylindol-5-amine
PubChem CID174939180
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl formate;1-methylindol-5-amine
SMILESCC(C)(C)OC=O.Cn1ccc2cc(N)ccc21
InChIInChI=1S/C9H10N2.C5H10O2/c1-11-5-4-7-6-8(10)2-3-9(7)11;1-5(2,3)7-4-6/h2-6H,10H2,1H3;4H,1-3H3
InChIKeyGFMCJJIVWDKFKA-UHFFFAOYSA-N
XLogP2.72
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-methylindole
CID 819864
2-methyl-2-(1-methylindol-5-yl)propanoic acid
CID 115114970
1-(3-methoxy-3-methylbutyl)indol-5-amine
CID 103033678
CID 67486113
CID 67486113
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176
3-(aminomethyl)aniline;tert-butyl formate
CID 174605074
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066
methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
CID 67563454
5-iodo-1-methylindole
CID 11322835
2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
CID 96609929
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
3-(1-methylindol-5-yl)oxypropan-1-amine
CID 84672497

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-methylindol-5-amine?
The IUPAC name of tert-butyl formate;1-methylindol-5-amine (CID 174939180) is tert-butyl formate;1-methylindol-5-amine.
What is the SMILES notation for tert-butyl formate;1-methylindol-5-amine?
The canonical SMILES for tert-butyl formate;1-methylindol-5-amine is CC(C)(C)OC=O.Cn1ccc2cc(N)ccc21.
What is the InChIKey of tert-butyl formate;1-methylindol-5-amine?
The InChIKey is GFMCJJIVWDKFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C5H10O2/c1-11-5-4-7-6-8(10)2-3-9(7)11;1-5(2,3)7-4-6/h2-6H,10H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-methylindol-5-amine?
tert-butyl formate;1-methylindol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-methylindol-5-amine is sourced from PubChem (CID 174939180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).