N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine

C14H27N3O — CID 62436234

IUPACN,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(CNC)no1
InChIInChI=1S/C14H27N3O/c1-5-12(6-2)10-17(7-3)11-14-8-13(9-15-4)16-18-14/h8,12,15H,5-7,9-11H2,1-4H3
InChIKeyLHPFGSBVGWHDLL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.65
Rot. Bonds9

About N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine

N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine (PubChem CID 62436234) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
PubChem CID62436234
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(CNC)no1
InChIInChI=1S/C14H27N3O/c1-5-12(6-2)10-17(7-3)11-14-8-13(9-15-4)16-18-14/h8,12,15H,5-7,9-11H2,1-4H3
InChIKeyLHPFGSBVGWHDLL-UHFFFAOYSA-N
XLogP2.65
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436417
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62411588
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
CID 55073917
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62426086
N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62462339
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
CID 62417271
N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63691252
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426085

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine (CID 62436234) is N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine is CCC(CC)CN(CC)Cc1cc(CNC)no1.
What is the InChIKey of N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
The InChIKey is LHPFGSBVGWHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-12(6-2)10-17(7-3)11-14-8-13(9-15-4)16-18-14/h8,12,15H,5-7,9-11H2,1-4H3.
What are the key properties of N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 62436234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).