tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate

C15H21N3O2 — CID 107236890

IUPACtert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
SMILESCn1cc(CNNC(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)17-16-9-11-10-18(4)13-8-6-5-7-12(11)13/h5-8,10,16H,9H2,1-4H3,(H,17,19)
InChIKeyYQWMVPTYGPSUIW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate

tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate (PubChem CID 107236890) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
PubChem CID107236890
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
SMILESCn1cc(CNNC(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)17-16-9-11-10-18(4)13-8-6-5-7-12(11)13/h5-8,10,16H,9H2,1-4H3,(H,17,19)
InChIKeyYQWMVPTYGPSUIW-UHFFFAOYSA-N
XLogP2.71
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylindol-3-yl)-2-[[(2R)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 166669213
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
benzyl (2R)-3-(1-methylindol-3-yl)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 131718329
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
tert-butyl N-[3-(1-methylindol-3-yl)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]carbamate
CID 135637960
tert-butyl N-[3-(1-methylindol-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate
CID 121240217
tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate
CID 18352713
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate?
The IUPAC name of tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate (CID 107236890) is tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate?
The canonical SMILES for tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate is Cn1cc(CNNC(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate?
The InChIKey is YQWMVPTYGPSUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)17-16-9-11-10-18(4)13-8-6-5-7-12(11)13/h5-8,10,16H,9H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate?
tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate is sourced from PubChem (CID 107236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).