tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate

C15H22N4O2 — CID 3694586

IUPACtert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)n1nnc2ccccc21
InChIInChI=1S/C15H22N4O2/c1-10(2)13(16-14(20)21-15(3,4)5)19-12-9-7-6-8-11(12)17-18-19/h6-10,13H,1-5H3,(H,16,20)
InChIKeyWMTFSKJPIBGFNJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate

tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate (PubChem CID 3694586) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate
PubChem CID3694586
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)n1nnc2ccccc21
InChIInChI=1S/C15H22N4O2/c1-10(2)13(16-14(20)21-15(3,4)5)19-12-9-7-6-8-11(12)17-18-19/h6-10,13H,1-5H3,(H,16,20)
InChIKeyWMTFSKJPIBGFNJ-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(2S)-1-(benzotriazole-1-carbothioylamino)-3-methylbutan-2-yl]carbamate
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1-(3,3-dimethylbutan-2-yl)benzotriazole
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N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
benzotriazol-1-ylmethanol;tert-butyl N-(benzotriazol-1-ylmethyl)carbamate;tert-butyl carbamate
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tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate (CID 3694586) is tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)n1nnc2ccccc21.
What is the InChIKey of tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate?
The InChIKey is WMTFSKJPIBGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)13(16-14(20)21-15(3,4)5)19-12-9-7-6-8-11(12)17-18-19/h6-10,13H,1-5H3,(H,16,20).
What are the key properties of tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate?
tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate has a molecular weight of 290.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(benzotriazol-1-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 3694586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).