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

C10H20BrNO2 — CID 18940749

IUPACtert-butyl N-(3-bromopropyl)-N-ethylcarbamate
SMILESCCN(CCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20BrNO2/c1-5-12(8-6-7-11)9(13)14-10(2,3)4/h5-8H2,1-4H3
InChIKeyGJHOTXAFSBKHPB-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.03
Rot. Bonds4

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

tert-butyl N-(3-bromopropyl)-N-ethylcarbamate (PubChem CID 18940749) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is tert-butyl N-(3-bromopropyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromopropyl)-N-ethylcarbamate
PubChem CID18940749
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Nametert-butyl N-(3-bromopropyl)-N-ethylcarbamate
SMILESCCN(CCCBr)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20BrNO2/c1-5-12(8-6-7-11)9(13)14-10(2,3)4/h5-8H2,1-4H3
InChIKeyGJHOTXAFSBKHPB-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.03
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 4-bromopiperidine-1-carboxylate
CID 15541517
3-Bromo-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 42614217
Tert-butyl 3-(bromomethyl)-3-fluoropyrrolidine-1-carboxylate
CID 46242130
1-N-Boc-3-bromopiperidine
CID 51051593
tert-Butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
CID 24730280
(R)-tert-butyl 3-bromopyrrolidine-1-carboxylate
CID 34179476
(S)-tert-butyl 3-bromopyrrolidine-1-carboxylate
CID 34179480
tert-butyl N-(3-bromopropyl)-N-methylcarbamate
CID 46780899
tert-butyl (3S)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 51358286
tert-Butyl (3R)-3-(bromomethyl)pyrrolidine-1-carboxylate
CID 51358287
1-Boc-3-(bromomethyl)azetidine
CID 53350331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromopropyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(3-bromopropyl)-N-ethylcarbamate (CID 18940749) is tert-butyl N-(3-bromopropyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(3-bromopropyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(3-bromopropyl)-N-ethylcarbamate is CCN(CCCBr)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-bromopropyl)-N-ethylcarbamate?
The InChIKey is GJHOTXAFSBKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-5-12(8-6-7-11)9(13)14-10(2,3)4/h5-8H2,1-4H3.
What are the key properties of tert-butyl N-(3-bromopropyl)-N-ethylcarbamate?
tert-butyl N-(3-bromopropyl)-N-ethylcarbamate has a molecular weight of 266.18 g/mol, XLogP of 3.03, 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-ethylcarbamate is sourced from PubChem (CID 18940749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).