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

C17H32N2OS — CID 82942281

IUPACN-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCN(Cc1cc(CNCC(C)C)sc1C)C(C)C
InChIInChI=1S/C17H32N2OS/c1-13(2)10-18-11-17-9-16(15(5)21-17)12-19(14(3)4)7-8-20-6/h9,13-14,18H,7-8,10-12H2,1-6H3
InChIKeyWDUYPLUUEYQRIE-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.66
Rot. Bonds10

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

N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82942281) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID82942281
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC NameN-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCN(Cc1cc(CNCC(C)C)sc1C)C(C)C
InChIInChI=1S/C17H32N2OS/c1-13(2)10-18-11-17-9-16(15(5)21-17)12-19(14(3)4)7-8-20-6/h9,13-14,18H,7-8,10-12H2,1-6H3
InChIKeyWDUYPLUUEYQRIE-UHFFFAOYSA-N
XLogP3.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80727717
N-[[4-(methoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729702
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N-[[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80729863
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80727214
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80719640
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
N-butan-2-yl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]butan-1-amine
CID 80728158
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
2-methyl-N-[[5-methyl-4-(oxetan-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 102608234

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 82942281) is N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine is COCCN(Cc1cc(CNCC(C)C)sc1C)C(C)C.
What is the InChIKey of N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WDUYPLUUEYQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-13(2)10-18-11-17-9-16(15(5)21-17)12-19(14(3)4)7-8-20-6/h9,13-14,18H,7-8,10-12H2,1-6H3.
What are the key properties of N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 312.52 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82942281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).