N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

C12H21N3OS — CID 113310210

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCC2(CN)CCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-10-15-7-11(17-10)6-14-9-12(8-13)2-4-16-5-3-12/h7,14H,2-6,8-9,13H2,1H3
InChIKeyCUFWBGMFZLKNKU-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.30
Rot. Bonds5

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 113310210) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID113310210
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCC2(CN)CCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-10-15-7-11(17-10)6-14-9-12(8-13)2-4-16-5-3-12/h7,14H,2-6,8-9,13H2,1H3
InChIKeyCUFWBGMFZLKNKU-UHFFFAOYSA-N
XLogP1.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (CID 113310210) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncc(CNCC2(CN)CCOCC2)s1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is CUFWBGMFZLKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-15-7-11(17-10)6-14-9-12(8-13)2-4-16-5-3-12/h7,14H,2-6,8-9,13H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 255.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 113310210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).