2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate

C13H25NO2 — CID 135046394

IUPAC2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)=C(C)COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)12(7)8-16-13(15)14(10(3)4)11(5)6/h10-11H,8H2,1-7H3
InChIKeyOAYHEAUVDPECTN-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.60
Rot. Bonds4

About 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate

2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate (PubChem CID 135046394) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate
PubChem CID135046394
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)=C(C)COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)12(7)8-16-13(15)14(10(3)4)11(5)6/h10-11H,8H2,1-7H3
InChIKeyOAYHEAUVDPECTN-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate (CID 135046394) is 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate is CC(C)=C(C)COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate?
The InChIKey is OAYHEAUVDPECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)12(7)8-16-13(15)14(10(3)4)11(5)6/h10-11H,8H2,1-7H3.
What are the key properties of 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate?
2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 135046394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).