N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

C15H27N3OS — CID 62391838

IUPACN-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2cscn2)CCOCC1
InChIInChI=1S/C15H27N3OS/c1-3-6-16-11-15(4-7-19-8-5-15)12-18(2)9-14-10-20-13-17-14/h10,13,16H,3-9,11-12H2,1-2H3
InChIKeySVJALPNOWOAMOV-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.37
Rot. Bonds8

About N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62391838) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62391838
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2cscn2)CCOCC1
InChIInChI=1S/C15H27N3OS/c1-3-6-16-11-15(4-7-19-8-5-15)12-18(2)9-14-10-20-13-17-14/h10,13,16H,3-9,11-12H2,1-2H3
InChIKeySVJALPNOWOAMOV-UHFFFAOYSA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62904856
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739960
N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62723392
2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
CID 65481332
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256967
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 62391838) is N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN(C)Cc2cscn2)CCOCC1.
What is the InChIKey of N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is SVJALPNOWOAMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-6-16-11-15(4-7-19-8-5-15)12-18(2)9-14-10-20-13-17-14/h10,13,16H,3-9,11-12H2,1-2H3.
What are the key properties of N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).