N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine

C14H27N3O2 — CID 116703049

IUPACN-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCCOC(c1noc(CCNC(C)(C)C)n1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-7-18-12(10(2)3)13-16-11(19-17-13)8-9-15-14(4,5)6/h10,12,15H,7-9H2,1-6H3
InChIKeyDSNPAQLIEVLIIG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 116703049) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID116703049
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCCOC(c1noc(CCNC(C)(C)C)n1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-7-18-12(10(2)3)13-16-11(19-17-13)8-9-15-14(4,5)6/h10,12,15H,7-9H2,1-6H3
InChIKeyDSNPAQLIEVLIIG-UHFFFAOYSA-N
XLogP2.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 116703622
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116703294
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116703299
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116703119
4-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116703230
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732879
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 116732876
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732618
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
5-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 116702991

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine (CID 116703049) is N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine is CCOC(c1noc(CCNC(C)(C)C)n1)C(C)C.
What is the InChIKey of N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is DSNPAQLIEVLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-7-18-12(10(2)3)13-16-11(19-17-13)8-9-15-14(4,5)6/h10,12,15H,7-9H2,1-6H3.
What are the key properties of N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116703049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).