tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate

C14H26BrNO2 — CID 24730282

IUPACtert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCBr)C1CCCCC1
InChIInChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16-12(9-10-15)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeySJYBJDIOAVOWPD-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate

tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate (PubChem CID 24730282) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
PubChem CID24730282
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC Nametert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCBr)C1CCCCC1
InChIInChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16-12(9-10-15)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeySJYBJDIOAVOWPD-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
tert-butyl N-[(1R)-1-cyclohexyl-2-nitroethyl]carbamate
CID 71474893
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
tert-butyl N-[2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143558141
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl N-[(3S)-3-cyclohexyl-3-hydroxypropyl]carbamate
CID 129387440
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 102037529
tert-butyl N-(1-cyclopropyl-3-oxopentyl)carbamate
CID 165465125
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate (CID 24730282) is tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate is CC(C)(C)OC(=O)NC(CCBr)C1CCCCC1.
What is the InChIKey of tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate?
The InChIKey is SJYBJDIOAVOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-14(2,3)18-13(17)16-12(9-10-15)11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate?
tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate has a molecular weight of 320.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate is sourced from PubChem (CID 24730282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).