2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine

C16H22N2S — CID 50971943

IUPAC2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCc1ccsc1CN(Cc1ccccn1)CC(C)C
InChIInChI=1S/C16H22N2S/c1-13(2)10-18(11-15-6-4-5-8-17-15)12-16-14(3)7-9-19-16/h4-9,13H,10-12H2,1-3H3
InChIKeyNAMSAGCPOCMDAR-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine

2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 50971943) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID50971943
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCc1ccsc1CN(Cc1ccccn1)CC(C)C
InChIInChI=1S/C16H22N2S/c1-13(2)10-18(11-15-6-4-5-8-17-15)12-16-14(3)7-9-19-16/h4-9,13H,10-12H2,1-3H3
InChIKeyNAMSAGCPOCMDAR-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine (CID 50971943) is 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine is Cc1ccsc1CN(Cc1ccccn1)CC(C)C.
What is the InChIKey of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is NAMSAGCPOCMDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(2)10-18(11-15-6-4-5-8-17-15)12-16-14(3)7-9-19-16/h4-9,13H,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 50971943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).