N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

C14H27N3O2 — CID 63009567

IUPACN-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cc(CNCC(C)C)no1
InChIInChI=1S/C14H27N3O2/c1-12(2)9-15-10-13-8-14(19-16-13)11-17(3)6-5-7-18-4/h8,12,15H,5-7,9-11H2,1-4H3
InChIKeyVVEABFQWYUDAJL-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.89
Rot. Bonds10

About N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63009567) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63009567
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cc(CNCC(C)C)no1
InChIInChI=1S/C14H27N3O2/c1-12(2)9-15-10-13-8-14(19-16-13)11-17(3)6-5-7-18-4/h8,12,15H,5-7,9-11H2,1-4H3
InChIKeyVVEABFQWYUDAJL-UHFFFAOYSA-N
XLogP1.89
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 63009567) is N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is COCCCN(C)Cc1cc(CNCC(C)C)no1.
What is the InChIKey of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VVEABFQWYUDAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2)9-15-10-13-8-14(19-16-13)11-17(3)6-5-7-18-4/h8,12,15H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63009567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).