tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate

C13H21NO2 — CID 132851274

IUPACtert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
SMILESC#CCN(CC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2/c1-5-9-14(10-11-7-6-8-11)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3
InChIKeyAVSWLYWKPVYYGU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds3

About tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate

tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate (PubChem CID 132851274) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
PubChem CID132851274
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nametert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
SMILESC#CCN(CC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H21NO2/c1-5-9-14(10-11-7-6-8-11)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3
InChIKeyAVSWLYWKPVYYGU-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
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

methyl N-(cyclopropylmethyl)-N-prop-2-ynylcarbamate
CID 115549687
tert-butyl N-(3-cyclopropyl-2-oxopropyl)-N-prop-2-ynylcarbamate
CID 165468013
tert-butyl N,N-bis(prop-2-ynyl)carbamate;methane;N-prop-2-ynylprop-2-yn-1-amine
CID 158412865
tert-butyl N-(cyanomethyl)-N-prop-2-ynylcarbamate
CID 130483940
tert-butyl N-(cyclohexylmethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-4-ylmethyl)amino]butyl]carbamate
CID 139906636
1-(cyclopropylmethyl)-3,3-dimethyl-1-prop-2-ynylurea
CID 115549872
N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
CID 115532424
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
CID 157021829
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[(E)-4-bromobut-2-enyl]-N-prop-2-ynylcarbamate
CID 102176875
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
CID 165468562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate?
The IUPAC name of tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate (CID 132851274) is tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate.
What is the SMILES notation for tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate?
The canonical SMILES for tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate is C#CCN(CC1CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate?
The InChIKey is AVSWLYWKPVYYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-9-14(10-11-7-6-8-11)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3.
What are the key properties of tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate?
tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate has a molecular weight of 223.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate is sourced from PubChem (CID 132851274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).