2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

C13H24N2O — CID 114877256

IUPAC2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCC(C)Cc1cnc(CNCC(C)C)o1
InChIInChI=1S/C13H24N2O/c1-5-11(4)6-12-8-15-13(16-12)9-14-7-10(2)3/h8,10-11,14H,5-7,9H2,1-4H3
InChIKeySQRACNADCVCWMJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.01
Rot. Bonds7

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

2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 114877256) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID114877256
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCC(C)Cc1cnc(CNCC(C)C)o1
InChIInChI=1S/C13H24N2O/c1-5-11(4)6-12-8-15-13(16-12)9-14-7-10(2)3/h8,10-11,14H,5-7,9H2,1-4H3
InChIKeySQRACNADCVCWMJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 83151593
N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181714
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183651
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184333
2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181670
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 114877256) is 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCC(C)Cc1cnc(CNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is SQRACNADCVCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-11(4)6-12-8-15-13(16-12)9-14-7-10(2)3/h8,10-11,14H,5-7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114877256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).