tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate

C11H20BrNO2 — CID 69236329

IUPACtert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCBr)C1CC1
InChIInChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8H2,1-3H3
InChIKeyNGWGFTQWJRGRRN-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate

tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate (PubChem CID 69236329) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate
PubChem CID69236329
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Nametert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCBr)C1CC1
InChIInChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8H2,1-3H3
InChIKeyNGWGFTQWJRGRRN-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
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-(3-bromopropyl)-N-methylcarbamate
CID 46780899
tert-butyl (2R)-2-(bromomethyl)azetidine-1-carboxylate
CID 72207590
1-Azetidinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester, (2S)-
CID 72207693
Tert-butyl 2-(bromomethyl)azetidine-1-carboxylate
CID 72207942
tert-butyl N-(4-bromobutyl)-N-methylcarbamate
CID 85722826
N-Boc-N-ethylcyclopropylamine
CID 53434834
tert-butyl N-cyclopropyl-N-methylcarbamate
CID 17777329
Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate
CID 10616954
N-BOC-N-ethyl-3-bromo-propylamine
CID 18940749
tert-butyl N-(3-bromopropyl)-N-(propan-2-yl)carbamate
CID 53807172
tert-butyl N-(4-bromobutan-2-yl)-N-methylcarbamate
CID 58797613
tert-butyl N-cyclopropyl-N-propylcarbamate
CID 63789745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate (CID 69236329) is tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(CCCBr)C1CC1.
What is the InChIKey of tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate?
The InChIKey is NGWGFTQWJRGRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate?
tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate has a molecular weight of 278.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromopropyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 69236329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).