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

C14H26N2O — CID 65182651

IUPAC2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CCc1cnc(CCNCC(C)C)o1
InChIInChI=1S/C14H26N2O/c1-11(2)5-6-13-10-16-14(17-13)7-8-15-9-12(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyZDCIBYUQMKDENL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.05
Rot. Bonds8

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

2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65182651) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65182651
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CCc1cnc(CCNCC(C)C)o1
InChIInChI=1S/C14H26N2O/c1-11(2)5-6-13-10-16-14(17-13)7-8-15-9-12(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyZDCIBYUQMKDENL-UHFFFAOYSA-N
XLogP3.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182513
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184333
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
CID 65185038
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713
2-methyl-N-[3-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213242
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183913
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243
N-[2-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182920
2-methyl-N-[2-[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185156
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65182651) is 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CC(C)CCc1cnc(CCNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is ZDCIBYUQMKDENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)5-6-13-10-16-14(17-13)7-8-15-9-12(3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65182651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).