N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine

C13H23N3O — CID 62417271

IUPACN-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCC)no1
InChIInChI=1S/C13H23N3O/c1-5-14-8-12-7-13(17-15-12)10-16(6-2)9-11(3)4/h7,14H,3,5-6,8-10H2,1-2,4H3
InChIKeyYFOFFALSTMWTBI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.18
Rot. Bonds8

About N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 62417271) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
PubChem CID62417271
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCC)no1
InChIInChI=1S/C13H23N3O/c1-5-14-8-12-7-13(17-15-12)10-16(6-2)9-11(3)4/h7,14H,3,5-6,8-10H2,1-2,4H3
InChIKeyYFOFFALSTMWTBI-UHFFFAOYSA-N
XLogP2.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine (CID 62417271) is N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1cc(CNCC)no1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is YFOFFALSTMWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-8-12-7-13(17-15-12)10-16(6-2)9-11(3)4/h7,14H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62417271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).