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

C11H20ClNO2 — CID 26370076

IUPACtert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCCl)C1CC1
InChIInChI=1S/C11H20ClNO2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8H2,1-3H3
InChIKeyKHYSGMWIIYMWJY-UHFFFAOYSA-N
MW233.74 g/mol
LogP3.01
Rot. Bonds4

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

tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate (PubChem CID 26370076) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate
PubChem CID26370076
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nametert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCCl)C1CC1
InChIInChI=1S/C11H20ClNO2/c1-11(2,3)15-10(14)13(8-4-7-12)9-5-6-9/h9H,4-8H2,1-3H3
InChIKeyKHYSGMWIIYMWJY-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.01
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
tert-butyl N-(2-chloroethyl)-N-cyclopropylcarbamate
CID 114293371
N-Boc-N-ethylcyclopropylamine
CID 53434834
tert-butyl N-(3-chloropropyl)-N-methylcarbamate;hydrochloride
CID 139250494
tert-butyl N-(2-chloroethyl)-N-propylcarbamate
CID 23067679
tert-Butyl tert-butyl(3-chloropropyl)carbamate
CID 26370071
tert-butyl N-(2-chloroethyl)-N-(2-chloropropyl)carbamate
CID 58913381
tert-butyl N-[3-chloro-2-(chloromethyl)propyl]-N-methylcarbamate
CID 59641409
tert-butyl N-cyclopropyl-N-propylcarbamate
CID 63789745
tert-butyl N-(2-chloropropyl)-N-methylcarbamate
CID 85772849
tert-butyl N-(1-chloropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89906447
tert-butyl N-(3-chloropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 129986956

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate (CID 26370076) is tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(CCCCl)C1CC1.
What is the InChIKey of tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate?
The InChIKey is KHYSGMWIIYMWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/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-chloropropyl)-N-cyclopropylcarbamate?
tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate has a molecular weight of 233.74 g/mol, XLogP of 3.01, 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-chloropropyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 26370076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).