2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

C16H26N2OS — CID 107557099

IUPAC2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN2CC3CCC(C2)O3)s1
InChIInChI=1S/C16H26N2OS/c1-12(2)7-17-8-15-5-6-16(20-15)11-18-9-13-3-4-14(10-18)19-13/h5-6,12-14,17H,3-4,7-11H2,1-2H3
InChIKeyZDIPWFQGGVVZEK-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.86
Rot. Bonds6

About 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107557099) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107557099
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN2CC3CCC(C2)O3)s1
InChIInChI=1S/C16H26N2OS/c1-12(2)7-17-8-15-5-6-16(20-15)11-18-9-13-3-4-14(10-18)19-13/h5-6,12-14,17H,3-4,7-11H2,1-2H3
InChIKeyZDIPWFQGGVVZEK-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-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-[[5-[(4-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556853
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
N-[[5-[(3,3-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556953
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557018
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556666
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557859
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557706
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557823
2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66369862
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine
CID 66371985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107557099) is 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(CN2CC3CCC(C2)O3)s1.
What is the InChIKey of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is ZDIPWFQGGVVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)7-17-8-15-5-6-16(20-15)11-18-9-13-3-4-14(10-18)19-13/h5-6,12-14,17H,3-4,7-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 294.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107557099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).