tert-butyl N-(3-azidocyclohexyl)carbamate

C11H20N4O2 — CID 91472138

IUPACtert-butyl N-(3-azidocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(N=[N+]=[N-])C1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-8-5-4-6-9(7-8)14-15-12/h8-9H,4-7H2,1-3H3,(H,13,16)
InChIKeyVPBUSOSCSPMXHV-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl N-(3-azidocyclohexyl)carbamate

tert-butyl N-(3-azidocyclohexyl)carbamate (PubChem CID 91472138) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl N-(3-azidocyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-azidocyclohexyl)carbamate
PubChem CID91472138
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl N-(3-azidocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(N=[N+]=[N-])C1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-8-5-4-6-9(7-8)14-15-12/h8-9H,4-7H2,1-3H3,(H,13,16)
InChIKeyVPBUSOSCSPMXHV-UHFFFAOYSA-N
XLogP3.13
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.13
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-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-azidocyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(3-azidocyclohexyl)carbamate (CID 91472138) is tert-butyl N-(3-azidocyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-azidocyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-azidocyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCCC(N=[N+]=[N-])C1.
What is the InChIKey of tert-butyl N-(3-azidocyclohexyl)carbamate?
The InChIKey is VPBUSOSCSPMXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-10(16)13-8-5-4-6-9(7-8)14-15-12/h8-9H,4-7H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-(3-azidocyclohexyl)carbamate?
tert-butyl N-(3-azidocyclohexyl)carbamate has a molecular weight of 240.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-azidocyclohexyl)carbamate is sourced from PubChem (CID 91472138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).