tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate

C17H25N3O2 — CID 107244952

IUPACtert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
SMILESCN(CCNCc1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)20(4)10-9-18-12-13-5-6-14-7-8-19-15(14)11-13/h5-8,11,18-19H,9-10,12H2,1-4H3
InChIKeyFAJZCEYRGJZHCF-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate

tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate (PubChem CID 107244952) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
PubChem CID107244952
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Nametert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
SMILESCN(CCNCc1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)20(4)10-9-18-12-13-5-6-14-7-8-19-15(14)11-13/h5-8,11,18-19H,9-10,12H2,1-4H3
InChIKeyFAJZCEYRGJZHCF-UHFFFAOYSA-N
XLogP3.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299
tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate
CID 107245270
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820
tert-butyl N-[2-[(3-fluoro-5-hydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 104878956
tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane
CID 162438051
tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
CID 103638800
N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 102909185
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate (CID 107244952) is tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate is CN(CCNCc1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate?
The InChIKey is FAJZCEYRGJZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)22-16(21)20(4)10-9-18-12-13-5-6-14-7-8-19-15(14)11-13/h5-8,11,18-19H,9-10,12H2,1-4H3.
What are the key properties of tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate has a molecular weight of 303.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 107244952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).