N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C17H25N3S — CID 80720176

IUPACN-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1CN(C)Cc1ccncc1
InChIInChI=1S/C17H25N3S/c1-13(2)19-10-17-9-16(14(3)21-17)12-20(4)11-15-5-7-18-8-6-15/h5-9,13,19H,10-12H2,1-4H3
InChIKeyTWCPEGHBBGIOJI-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.58
Rot. Bonds7

About N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80720176) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID80720176
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1CN(C)Cc1ccncc1
InChIInChI=1S/C17H25N3S/c1-13(2)19-10-17-9-16(14(3)21-17)12-20(4)11-15-5-7-18-8-6-15/h5-9,13,19H,10-12H2,1-4H3
InChIKeyTWCPEGHBBGIOJI-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80721333
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273
1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
CID 80728012
N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
CID 80720308
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 86815152

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 80720176) is N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)C)cc1CN(C)Cc1ccncc1.
What is the InChIKey of N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is TWCPEGHBBGIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13(2)19-10-17-9-16(14(3)21-17)12-20(4)11-15-5-7-18-8-6-15/h5-9,13,19H,10-12H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80720176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).