tert-butyl N,N-bis(prop-2-ynyl)carbamate

C11H15NO2 — CID 21250534

IUPACtert-butyl N,N-bis(prop-2-ynyl)carbamate
SMILESC#CCN(CC#C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h1-2H,8-9H2,3-5H3
InChIKeyBPKHWXYPEWXEAL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl N,N-bis(prop-2-ynyl)carbamate

tert-butyl N,N-bis(prop-2-ynyl)carbamate (PubChem CID 21250534) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is tert-butyl N,N-bis(prop-2-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(prop-2-ynyl)carbamate
PubChem CID21250534
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nametert-butyl N,N-bis(prop-2-ynyl)carbamate
SMILESC#CCN(CC#C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h1-2H,8-9H2,3-5H3
InChIKeyBPKHWXYPEWXEAL-UHFFFAOYSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-(prop-2-yn-1-yl)carbamate
CID 18366137
tert-Butyl cyclopropyl(prop-2-yn-1-yl)carbamate
CID 71427234
tert-butyl N-(but-3-yn-2-yl)-N-methylcarbamate
CID 87498437
1,3-Bis(1,1-dimethylethyl) 2-(2-propyn-1-yl)imidodicarbonate
CID 10999645
tert-butyl N-methyl-N-(2-(methyl(prop-2-yn-1-yl)amino)ethyl)carbamate
CID 137943428
tert-Butyl diethylcarbamate
CID 13314074
tert-Butyl ethyl(methyl)carbamate
CID 14271611
Tert-butyl methyl(pent-4-yn-1-yl)carbamate
CID 86654758
tert-butyl N-tert-butyl-N-(prop-2-yn-1-yl)carbamate
CID 107446873
N-carbethoxy dipropargylamine
CID 129731242
tert-butyl N-but-2-ynyl-N-(2,2,2-trifluoroethyl)carbamate
CID 59473968
tert-butyl N-ethyl-N-(2-fluoroethyl)carbamate
CID 86043733

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(prop-2-ynyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(prop-2-ynyl)carbamate (CID 21250534) is tert-butyl N,N-bis(prop-2-ynyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(prop-2-ynyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(prop-2-ynyl)carbamate is C#CCN(CC#C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-bis(prop-2-ynyl)carbamate?
The InChIKey is BPKHWXYPEWXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h1-2H,8-9H2,3-5H3.
What are the key properties of tert-butyl N,N-bis(prop-2-ynyl)carbamate?
tert-butyl N,N-bis(prop-2-ynyl)carbamate has a molecular weight of 193.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(prop-2-ynyl)carbamate is sourced from PubChem (CID 21250534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).