cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate

C14H23NO3 — CID 175087210

IUPACcyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate
SMILESC#CCOCCCN(C(=O)OC1CC1)C(C)(C)C
InChIInChI=1S/C14H23NO3/c1-5-10-17-11-6-9-15(14(2,3)4)13(16)18-12-7-8-12/h1,12H,6-11H2,2-4H3
InChIKeyOIXIGVDVAISYOC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.43
Rot. Bonds6

About cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate

cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate (PubChem CID 175087210) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate.

Molecular Properties

Compound Namecyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate
PubChem CID175087210
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate
SMILESC#CCOCCCN(C(=O)OC1CC1)C(C)(C)C
InChIInChI=1S/C14H23NO3/c1-5-10-17-11-6-9-15(14(2,3)4)13(16)18-12-7-8-12/h1,12H,6-11H2,2-4H3
InChIKeyOIXIGVDVAISYOC-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate?
The IUPAC name of cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate (CID 175087210) is cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate.
What is the SMILES notation for cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate?
The canonical SMILES for cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate is C#CCOCCCN(C(=O)OC1CC1)C(C)(C)C.
What is the InChIKey of cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate?
The InChIKey is OIXIGVDVAISYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-10-17-11-6-9-15(14(2,3)4)13(16)18-12-7-8-12/h1,12H,6-11H2,2-4H3.
What are the key properties of cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate?
cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate has a molecular weight of 253.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-tert-butyl-N-(3-prop-2-ynoxypropyl)carbamate is sourced from PubChem (CID 175087210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).