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

C14H27N3O — CID 62411588

IUPACN-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
SMILESCCCCN(Cc1cc(CNC)no1)C(C)CC
InChIInChI=1S/C14H27N3O/c1-5-7-8-17(12(3)6-2)11-14-9-13(10-15-4)16-18-14/h9,12,15H,5-8,10-11H2,1-4H3
InChIKeyPBFWCSRDFFURQX-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.79
Rot. Bonds9

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

N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine (PubChem CID 62411588) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
PubChem CID62411588
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
SMILESCCCCN(Cc1cc(CNC)no1)C(C)CC
InChIInChI=1S/C14H27N3O/c1-5-7-8-17(12(3)6-2)11-14-9-13(10-15-4)16-18-14/h9,12,15H,5-8,10-11H2,1-4H3
InChIKeyPBFWCSRDFFURQX-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine (CID 62411588) is N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine is CCCCN(Cc1cc(CNC)no1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
The InChIKey is PBFWCSRDFFURQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-7-8-17(12(3)6-2)11-14-9-13(10-15-4)16-18-14/h9,12,15H,5-8,10-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine?
N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 62411588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).