tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate

C10H18ClNO2 — CID 114293371

IUPACtert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyODZAKGHQEOJHRP-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate

tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate (PubChem CID 114293371) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate
PubChem CID114293371
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Nametert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyODZAKGHQEOJHRP-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.62
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 (3-chloropropyl)methylcarbamate
CID 14194551
N-BOC-N,N-Bis(2-chloroethyl)amine
CID 11230235
tert-Butyl N-(2-chloroethyl)-N-methylcarbamate
CID 59840485
N-Boc-N-ethylcyclopropylamine
CID 53434834
tert-butyl N-(2-chloroethyl)-N-propylcarbamate
CID 23067679
tert-Butyl tert-butyl(3-chloropropyl)carbamate
CID 26370071
tert-Butyl 3-Chloropropyl(cyclopropyl)carbamate
CID 26370076
tert-butyl N-(2-chloroethyl)-N-(2-chloropropyl)carbamate
CID 58913381
tert-butyl N-cyclopropyl-N-propylcarbamate
CID 63789745
tert-butyl N-(2-chloropropyl)-N-methylcarbamate
CID 85772849
Tert-butyl 1-(2-chloroethyl)aziridin-1-ium-1-carboxylate
CID 123163681
tert-butyl N-(2-chloroethyl)-N-propylcarbamate;ethane
CID 143373887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate (CID 114293371) is tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(CCCl)C1CC1.
What is the InChIKey of tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate?
The InChIKey is ODZAKGHQEOJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate?
tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate has a molecular weight of 219.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 114293371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).