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

C16H28N2OS — CID 62392692

IUPACN-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2ccsc2)CCOCC1
InChIInChI=1S/C16H28N2OS/c1-3-7-17-13-16(5-8-19-9-6-16)14-18(2)11-15-4-10-20-12-15/h4,10,12,17H,3,5-9,11,13-14H2,1-2H3
InChIKeyPTLHEHCEZPJJOJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.98
Rot. Bonds8

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

N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62392692) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62392692
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)Cc2ccsc2)CCOCC1
InChIInChI=1S/C16H28N2OS/c1-3-7-17-13-16(5-8-19-9-6-16)14-18(2)11-15-4-10-20-12-15/h4,10,12,17H,3,5-9,11,13-14H2,1-2H3
InChIKeyPTLHEHCEZPJJOJ-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391838
N-[[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62261568
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009
N-[[3-[[benzyl(methyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741702
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62391166
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62390633

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 62392692) is N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN(C)Cc2ccsc2)CCOCC1.
What is the InChIKey of N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is PTLHEHCEZPJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-7-17-13-16(5-8-19-9-6-16)14-18(2)11-15-4-10-20-12-15/h4,10,12,17H,3,5-9,11,13-14H2,1-2H3.
What are the key properties of N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62392692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).