N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine

C12H20N2O — CID 104577650

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1c(C)noc1C
InChIInChI=1S/C12H20N2O/c1-8(2)6-7-13-9(3)12-10(4)14-15-11(12)5/h6,9,13H,7H2,1-5H3
InChIKeyILSSHZHSHIHLNQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine (PubChem CID 104577650) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
PubChem CID104577650
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1c(C)noc1C
InChIInChI=1S/C12H20N2O/c1-8(2)6-7-13-9(3)12-10(4)14-15-11(12)5/h6,9,13H,7H2,1-5H3
InChIKeyILSSHZHSHIHLNQ-UHFFFAOYSA-N
XLogP2.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine (CID 104577650) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine is CC(C)=CCNC(C)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine?
The InChIKey is ILSSHZHSHIHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)6-7-13-9(3)12-10(4)14-15-11(12)5/h6,9,13H,7H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 104577650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).