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

C16H29N3O2 — CID 63706148

IUPAC2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(CN(C)CC2CCCOC2)on1
InChIInChI=1S/C16H29N3O2/c1-13(2)8-17-9-15-7-16(21-18-15)11-19(3)10-14-5-4-6-20-12-14/h7,13-14,17H,4-6,8-12H2,1-3H3
InChIKeyKHSXCULPHFMPPI-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.28
Rot. Bonds8

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

2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 63706148) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID63706148
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(CN(C)CC2CCCOC2)on1
InChIInChI=1S/C16H29N3O2/c1-13(2)8-17-9-15-7-16(21-18-15)11-19(3)10-14-5-4-6-20-12-14/h7,13-14,17H,4-6,8-12H2,1-3H3
InChIKeyKHSXCULPHFMPPI-UHFFFAOYSA-N
XLogP2.28
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63705981
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63656925
N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63706151
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63009567
N-[[5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63864372
3-N-methyl-1-N-(2-methylpropyl)-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63708130
N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429312
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63705833
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63657931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 63706148) is 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CC(C)CNCc1cc(CN(C)CC2CCCOC2)on1.
What is the InChIKey of 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is KHSXCULPHFMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(2)8-17-9-15-7-16(21-18-15)11-19(3)10-14-5-4-6-20-12-14/h7,13-14,17H,4-6,8-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63706148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).