5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine

C17H23N3S — CID 135103518

IUPAC5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCc1ccc(CN(Cc2ccc(N(C)C)nc2)C2CC2)s1
InChIInChI=1S/C17H23N3S/c1-13-4-8-16(21-13)12-20(15-6-7-15)11-14-5-9-17(18-10-14)19(2)3/h4-5,8-10,15H,6-7,11-12H2,1-3H3
InChIKeyUVNMOHRDIPYGAC-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.68
Rot. Bonds6

About 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine

5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 135103518) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID135103518
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCc1ccc(CN(Cc2ccc(N(C)C)nc2)C2CC2)s1
InChIInChI=1S/C17H23N3S/c1-13-4-8-16(21-13)12-20(15-6-7-15)11-14-5-9-17(18-10-14)19(2)3/h4-5,8-10,15H,6-7,11-12H2,1-3H3
InChIKeyUVNMOHRDIPYGAC-UHFFFAOYSA-N
XLogP3.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine (CID 135103518) is 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine is Cc1ccc(CN(Cc2ccc(N(C)C)nc2)C2CC2)s1.
What is the InChIKey of 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is UVNMOHRDIPYGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-4-8-16(21-13)12-20(15-6-7-15)11-14-5-9-17(18-10-14)19(2)3/h4-5,8-10,15H,6-7,11-12H2,1-3H3.
What are the key properties of 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine?
5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 135103518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).