N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine

C16H30N2OS — CID 80727717

IUPACN-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC(C)N(C)Cc1cc(CNCC(C)C)sc1C
InChIInChI=1S/C16H30N2OS/c1-12(2)8-17-9-16-7-15(14(4)20-16)10-18(5)13(3)11-19-6/h7,12-13,17H,8-11H2,1-6H3
InChIKeyBFMRMRZMYDRWSQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.27
Rot. Bonds9

About N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80727717) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID80727717
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC(C)N(C)Cc1cc(CNCC(C)C)sc1C
InChIInChI=1S/C16H30N2OS/c1-12(2)8-17-9-16-7-15(14(4)20-16)10-18(5)13(3)11-19-6/h7,12-13,17H,8-11H2,1-6H3
InChIKeyBFMRMRZMYDRWSQ-UHFFFAOYSA-N
XLogP3.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-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

N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044
N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 82942281
N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729702
N-[[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729863
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80727214
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80719640
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
N-[[4-[(3-methoxy-3-methylbutoxy)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 106668090
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 80727717) is N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine is COCC(C)N(C)Cc1cc(CNCC(C)C)sc1C.
What is the InChIKey of N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BFMRMRZMYDRWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-12(2)8-17-9-16-7-15(14(4)20-16)10-18(5)13(3)11-19-6/h7,12-13,17H,8-11H2,1-6H3.
What are the key properties of N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 298.50 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80727717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).