N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H23N3OS — CID 62256415

IUPACN-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNCC1(CN(C)Cc2csc(C)n2)CCOC1
InChIInChI=1S/C13H23N3OS/c1-11-15-12(7-18-11)6-16(3)9-13(8-14-2)4-5-17-10-13/h7,14H,4-6,8-10H2,1-3H3
InChIKeyVZFPUOYDTPCPBU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.51
Rot. Bonds6

About N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 62256415) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID62256415
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNCC1(CN(C)Cc2csc(C)n2)CCOC1
InChIInChI=1S/C13H23N3OS/c1-11-15-12(7-18-11)6-16(3)9-13(8-14-2)4-5-17-10-13/h7,14H,4-6,8-10H2,1-3H3
InChIKeyVZFPUOYDTPCPBU-UHFFFAOYSA-N
XLogP1.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 62256415) is N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CNCC1(CN(C)Cc2csc(C)n2)CCOC1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is VZFPUOYDTPCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-15-12(7-18-11)6-16(3)9-13(8-14-2)4-5-17-10-13/h7,14H,4-6,8-10H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 269.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 62256415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).