2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine

C13H26N4O — CID 103191536

IUPAC2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1coc(N(CC)C(C)CN(C)C)n1
InChIInChI=1S/C13H26N4O/c1-6-14-8-12-10-18-13(15-12)17(7-2)11(3)9-16(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyWHUUZXTZNDEMCD-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.56
Rot. Bonds8

About 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191536) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191536
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1coc(N(CC)C(C)CN(C)C)n1
InChIInChI=1S/C13H26N4O/c1-6-14-8-12-10-18-13(15-12)17(7-2)11(3)9-16(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyWHUUZXTZNDEMCD-UHFFFAOYSA-N
XLogP1.56
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191536) is 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is CCNCc1coc(N(CC)C(C)CN(C)C)n1.
What is the InChIKey of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WHUUZXTZNDEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-14-8-12-10-18-13(15-12)17(7-2)11(3)9-16(4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).