tert-butyl N-(2-azidobutyl)carbamate

C9H18N4O2 — CID 58080290

IUPACtert-butyl N-(2-azidobutyl)carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C9H18N4O2/c1-5-7(12-13-10)6-11-8(14)15-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyYKGZQPZAZPSSEU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl N-(2-azidobutyl)carbamate

tert-butyl N-(2-azidobutyl)carbamate (PubChem CID 58080290) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is tert-butyl N-(2-azidobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-azidobutyl)carbamate
PubChem CID58080290
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Nametert-butyl N-(2-azidobutyl)carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C9H18N4O2/c1-5-7(12-13-10)6-11-8(14)15-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyYKGZQPZAZPSSEU-UHFFFAOYSA-N
XLogP2.60
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
tert-butyl N-[2-[3-azidopentyl(methyl)amino]ethyl]carbamate
CID 166868802
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate
CID 58981724
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
CID 91490208
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-(2-chloro-2-nitrosoethyl)carbamate
CID 91269741
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-azidobutyl)carbamate?
The IUPAC name of tert-butyl N-(2-azidobutyl)carbamate (CID 58080290) is tert-butyl N-(2-azidobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-azidobutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-azidobutyl)carbamate is CCC(CNC(=O)OC(C)(C)C)N=[N+]=[N-].
What is the InChIKey of tert-butyl N-(2-azidobutyl)carbamate?
The InChIKey is YKGZQPZAZPSSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-5-7(12-13-10)6-11-8(14)15-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,14).
What are the key properties of tert-butyl N-(2-azidobutyl)carbamate?
tert-butyl N-(2-azidobutyl)carbamate has a molecular weight of 214.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-azidobutyl)carbamate is sourced from PubChem (CID 58080290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).