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

C18H27N3O2 — CID 107250820

IUPACtert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H27N3O2/c1-5-15(12-21-17(22)23-18(2,3)4)20-11-13-6-7-14-8-9-19-16(14)10-13/h6-10,15,19-20H,5,11-12H2,1-4H3,(H,21,22)
InChIKeyHIDVLADOJVGSFX-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.56
Rot. Bonds6

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

tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate (PubChem CID 107250820) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
PubChem CID107250820
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H27N3O2/c1-5-15(12-21-17(22)23-18(2,3)4)20-11-13-6-7-14-8-9-19-16(14)10-13/h6-10,15,19-20H,5,11-12H2,1-4H3,(H,21,22)
InChIKeyHIDVLADOJVGSFX-UHFFFAOYSA-N
XLogP3.56
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206
tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
CID 107244952
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
tert-butyl N-[2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butyl]carbamate
CID 107251140
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]pentyl]carbamate
CID 107253853
tert-butyl N-[2-[(3-bromo-4-chlorophenyl)methylamino]pentyl]carbamate
CID 107253882
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
CID 107253789
tert-butyl N-[2-[(3-bromophenyl)methylamino]pentyl]carbamate
CID 107253486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate (CID 107250820) is tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCc1ccc2cc[nH]c2c1.
What is the InChIKey of tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate?
The InChIKey is HIDVLADOJVGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-15(12-21-17(22)23-18(2,3)4)20-11-13-6-7-14-8-9-19-16(14)10-13/h6-10,15,19-20H,5,11-12H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate?
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate has a molecular weight of 317.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 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)butyl]carbamate is sourced from PubChem (CID 107250820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).