N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine

C16H28N2OS — CID 79486829

IUPACN-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)CCc2cccs2)CCOC1
InChIInChI=1S/C16H28N2OS/c1-14(2)17-11-16(7-9-19-13-16)12-18(3)8-6-15-5-4-10-20-15/h4-5,10,14,17H,6-9,11-13H2,1-3H3
InChIKeyNBGNIFDTJXAWGJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.63
Rot. Bonds8

About N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79486829) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID79486829
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)CCc2cccs2)CCOC1
InChIInChI=1S/C16H28N2OS/c1-14(2)17-11-16(7-9-19-13-16)12-18(3)8-6-15-5-4-10-20-15/h4-5,10,14,17H,6-9,11-13H2,1-3H3
InChIKeyNBGNIFDTJXAWGJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79486277
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392031
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62391822
2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62257623
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (CID 79486829) is N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)CCc2cccs2)CCOC1.
What is the InChIKey of N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is NBGNIFDTJXAWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-14(2)17-11-16(7-9-19-13-16)12-18(3)8-6-15-5-4-10-20-15/h4-5,10,14,17H,6-9,11-13H2,1-3H3.
What are the key properties of N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79486829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).