N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine

C15H26N2OS — CID 103059500

IUPACN-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN(Cc1cccs1)C(C)C
InChIInChI=1S/C15H26N2OS/c1-12(2)17(10-14-5-4-8-19-14)9-13-11-18-7-6-15(13)16-3/h4-5,8,12-13,15-16H,6-7,9-11H2,1-3H3
InChIKeyVLMZLVGMXGYXPJ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine

N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine (PubChem CID 103059500) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
PubChem CID103059500
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN(Cc1cccs1)C(C)C
InChIInChI=1S/C15H26N2OS/c1-12(2)17(10-14-5-4-8-19-14)9-13-11-18-7-6-15(13)16-3/h4-5,8,12-13,15-16H,6-7,9-11H2,1-3H3
InChIKeyVLMZLVGMXGYXPJ-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine
CID 66244987
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62610899
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64614002
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
N,4-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79486822

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine (CID 103059500) is N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine is CNC1CCOCC1CN(Cc1cccs1)C(C)C.
What is the InChIKey of N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine?
The InChIKey is VLMZLVGMXGYXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(2)17(10-14-5-4-8-19-14)9-13-11-18-7-6-15(13)16-3/h4-5,8,12-13,15-16H,6-7,9-11H2,1-3H3.
What are the key properties of N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine?
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine has a molecular weight of 282.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103059500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).