2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine

C16H28N2OS — CID 62256273

IUPAC2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN(C)Cc2cccs2)CCOC1
InChIInChI=1S/C16H28N2OS/c1-14(2)9-17-11-16(6-7-19-13-16)12-18(3)10-15-5-4-8-20-15/h4-5,8,14,17H,6-7,9-13H2,1-3H3
InChIKeyPBCHETLQFXMRFP-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.83
Rot. Bonds8

About 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62256273) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62256273
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN(C)Cc2cccs2)CCOC1
InChIInChI=1S/C16H28N2OS/c1-14(2)9-17-11-16(6-7-19-13-16)12-18(3)10-15-5-4-8-20-15/h4-5,8,14,17H,6-7,9-13H2,1-3H3
InChIKeyPBCHETLQFXMRFP-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255910
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62259743
1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260251
2-methyl-N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63739960
N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
CID 62258684
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine (CID 62256273) is 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CN(C)Cc2cccs2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is PBCHETLQFXMRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-14(2)9-17-11-16(6-7-19-13-16)12-18(3)10-15-5-4-8-20-15/h4-5,8,14,17H,6-7,9-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62256273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).