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

C12H21N3OS — CID 62256243

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN(C)CC2(CN)CCOC2)cs1
InChIInChI=1S/C12H21N3OS/c1-10-14-11(6-17-10)5-15(2)8-12(7-13)3-4-16-9-12/h6H,3-5,7-9,13H2,1-2H3
InChIKeyUHVQXDZJMDYYJV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.25
Rot. Bonds5

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

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 62256243) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID62256243
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN(C)CC2(CN)CCOC2)cs1
InChIInChI=1S/C12H21N3OS/c1-10-14-11(6-17-10)5-15(2)8-12(7-13)3-4-16-9-12/h6H,3-5,7-9,13H2,1-2H3
InChIKeyUHVQXDZJMDYYJV-UHFFFAOYSA-N
XLogP1.25
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 62256243) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CN(C)CC2(CN)CCOC2)cs1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is UHVQXDZJMDYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-14-11(6-17-10)5-15(2)8-12(7-13)3-4-16-9-12/h6H,3-5,7-9,13H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 255.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 62256243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).