N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

C18H32N2S — CID 80720631

IUPACN-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1CN1CC(C)CCC1C
InChIInChI=1S/C18H32N2S/c1-13-7-8-14(2)20(11-13)12-16-9-17(21-15(16)3)10-19-18(4,5)6/h9,13-14,19H,7-8,10-12H2,1-6H3
InChIKeyNINSAHPHZPCOFT-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.57
Rot. Bonds4

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

N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80720631) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80720631
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1CN1CC(C)CCC1C
InChIInChI=1S/C18H32N2S/c1-13-7-8-14(2)20(11-13)12-16-9-17(21-15(16)3)10-19-18(4,5)6/h9,13-14,19H,7-8,10-12H2,1-6H3
InChIKeyNINSAHPHZPCOFT-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 80720631) is N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is Cc1sc(CNC(C)(C)C)cc1CN1CC(C)CCC1C.
What is the InChIKey of N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NINSAHPHZPCOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-13-7-8-14(2)20(11-13)12-16-9-17(21-15(16)3)10-19-18(4,5)6/h9,13-14,19H,7-8,10-12H2,1-6H3.
What are the key properties of N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.54 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80720631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).