tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate

C14H19N3O2 — CID 83825817

IUPACtert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2[nH]c(CN)cc2c1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)17-10-4-5-12-9(6-10)7-11(8-15)16-12/h4-7,16H,8,15H2,1-3H3,(H,17,18)
InChIKeyLZDUDKNOIDPFOP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate

tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate (PubChem CID 83825817) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate
PubChem CID83825817
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nametert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2[nH]c(CN)cc2c1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)17-10-4-5-12-9(6-10)7-11(8-15)16-12/h4-7,16H,8,15H2,1-3H3,(H,17,18)
InChIKeyLZDUDKNOIDPFOP-UHFFFAOYSA-N
XLogP2.97
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-phenyl-1H-indol-5-yl)carbamate
CID 86048174
tert-butyl N-[4-(aminomethyl)-3-chlorophenyl]carbamate
CID 22467470
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
CID 123540990
5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylic acid
CID 175395749
5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylic acid
CID 175395748
[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-indol-5-yl] 2-methylbutanoate
CID 166164154
[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-2-yl]oxyboronic acid
CID 66909060
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-benzimidazole-2-carboxylate
CID 147345487
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate (CID 83825817) is tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2[nH]c(CN)cc2c1.
What is the InChIKey of tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate?
The InChIKey is LZDUDKNOIDPFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)17-10-4-5-12-9(6-10)7-11(8-15)16-12/h4-7,16H,8,15H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate?
tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(aminomethyl)-1H-indol-5-yl]carbamate is sourced from PubChem (CID 83825817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).