1-bromopropan-2-yl N-cyclohexylcarbamate

C10H18BrNO2 — CID 103970804

IUPAC1-bromopropan-2-yl N-cyclohexylcarbamate
SMILESCC(CBr)OC(=O)NC1CCCCC1
InChIInChI=1S/C10H18BrNO2/c1-8(7-11)14-10(13)12-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyGKUDBUHGHKGTBI-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.83
Rot. Bonds3

About 1-bromopropan-2-yl N-cyclohexylcarbamate

1-bromopropan-2-yl N-cyclohexylcarbamate (PubChem CID 103970804) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-bromopropan-2-yl N-cyclohexylcarbamate.

Molecular Properties

Compound Name1-bromopropan-2-yl N-cyclohexylcarbamate
PubChem CID103970804
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name1-bromopropan-2-yl N-cyclohexylcarbamate
SMILESCC(CBr)OC(=O)NC1CCCCC1
InChIInChI=1S/C10H18BrNO2/c1-8(7-11)14-10(13)12-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyGKUDBUHGHKGTBI-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.83
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

propan-2-yl N-cyclooctylcarbamate
CID 116653938
methyl N-cyclohexadecylcarbamate
CID 131977131
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
CID 89476445
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264
2-bromoethyl N-cyclohexylcarbamate
CID 112683003
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
cyclopentylcarbamoperoxoic acid
CID 143557914
1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 139648367
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclododecyl N-cyclobutylcarbamate
CID 135210614
4-O-[2-(cyclohexylcarbamoyloxy)-3-methylbutyl] 1-O-methyl but-2-enedioate
CID 167312524
1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate
CID 70601054

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-yl N-cyclohexylcarbamate?
The IUPAC name of 1-bromopropan-2-yl N-cyclohexylcarbamate (CID 103970804) is 1-bromopropan-2-yl N-cyclohexylcarbamate.
What is the SMILES notation for 1-bromopropan-2-yl N-cyclohexylcarbamate?
The canonical SMILES for 1-bromopropan-2-yl N-cyclohexylcarbamate is CC(CBr)OC(=O)NC1CCCCC1.
What is the InChIKey of 1-bromopropan-2-yl N-cyclohexylcarbamate?
The InChIKey is GKUDBUHGHKGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-8(7-11)14-10(13)12-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-bromopropan-2-yl N-cyclohexylcarbamate?
1-bromopropan-2-yl N-cyclohexylcarbamate has a molecular weight of 264.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-yl N-cyclohexylcarbamate is sourced from PubChem (CID 103970804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).