N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C15H27N3OS — CID 62769119

IUPACN-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(N2CCOCC2(C)C)sc1CNCC(C)C
InChIInChI=1S/C15H27N3OS/c1-11(2)8-16-9-13-12(3)17-14(20-13)18-6-7-19-10-15(18,4)5/h11,16H,6-10H2,1-5H3
InChIKeyQDPAVZWYLMADLC-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.81
Rot. Bonds5

About N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62769119) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62769119
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(N2CCOCC2(C)C)sc1CNCC(C)C
InChIInChI=1S/C15H27N3OS/c1-11(2)8-16-9-13-12(3)17-14(20-13)18-6-7-19-10-15(18,4)5/h11,16H,6-10H2,1-5H3
InChIKeyQDPAVZWYLMADLC-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62769119) is N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(N2CCOCC2(C)C)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QDPAVZWYLMADLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11(2)8-16-9-13-12(3)17-14(20-13)18-6-7-19-10-15(18,4)5/h11,16H,6-10H2,1-5H3.
What are the key properties of N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62769119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).