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

C13H25N3O — CID 62422427

IUPACN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCNCc1cc(CN(C)CC(C)CC)on1
InChIInChI=1S/C13H25N3O/c1-5-11(3)9-16(4)10-13-7-12(15-17-13)8-14-6-2/h7,11,14H,5-6,8-10H2,1-4H3
InChIKeyCACBMFRGWADRAZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds8

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

N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62422427) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID62422427
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCNCc1cc(CN(C)CC(C)CC)on1
InChIInChI=1S/C13H25N3O/c1-5-11(3)9-16(4)10-13-7-12(15-17-13)8-14-6-2/h7,11,14H,5-6,8-10H2,1-4H3
InChIKeyCACBMFRGWADRAZ-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140120
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62411380
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
CID 62417271
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 79312573
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 62426996
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64520685
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63009567

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine (CID 62422427) is N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine is CCNCc1cc(CN(C)CC(C)CC)on1.
What is the InChIKey of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is CACBMFRGWADRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-11(3)9-16(4)10-13-7-12(15-17-13)8-14-6-2/h7,11,14H,5-6,8-10H2,1-4H3.
What are the key properties of N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine?
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62422427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).