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

C13H25N3O — CID 55073917

IUPACN,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
SMILESCNCc1cc(CN(C)C(C)C(C)(C)C)on1
InChIInChI=1S/C13H25N3O/c1-10(13(2,3)4)16(6)9-12-7-11(8-14-5)15-17-12/h7,10,14H,8-9H2,1-6H3
InChIKeyKLPWEIAMPJJNBQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds5

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

N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine (PubChem CID 55073917) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
PubChem CID55073917
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
SMILESCNCc1cc(CN(C)C(C)C(C)(C)C)on1
InChIInChI=1S/C13H25N3O/c1-10(13(2,3)4)16(6)9-12-7-11(8-14-5)15-17-12/h7,10,14H,8-9H2,1-6H3
InChIKeyKLPWEIAMPJJNBQ-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62984925
N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62423371
N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62462339
N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62411588
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64522082
N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436234
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62461546
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
1-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 102723207
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine (CID 55073917) is N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine is CNCc1cc(CN(C)C(C)C(C)(C)C)on1.
What is the InChIKey of N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine?
The InChIKey is KLPWEIAMPJJNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(13(2,3)4)16(6)9-12-7-11(8-14-5)15-17-12/h7,10,14H,8-9H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 55073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).