1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol

C14H25NOS — CID 24714016

IUPAC1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccc(C)s1)CC(C)C
InChIInChI=1S/C14H25NOS/c1-5-13(16)9-15(8-11(2)3)10-14-7-6-12(4)17-14/h6-7,11,13,16H,5,8-10H2,1-4H3
InChIKeyABVLZTCIRZZHKX-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol

1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol (PubChem CID 24714016) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
PubChem CID24714016
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccc(C)s1)CC(C)C
InChIInChI=1S/C14H25NOS/c1-5-13(16)9-15(8-11(2)3)10-14-7-6-12(4)17-14/h6-7,11,13,16H,5,8-10H2,1-4H3
InChIKeyABVLZTCIRZZHKX-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol 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 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol?
The IUPAC name of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol (CID 24714016) is 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol is CCC(O)CN(Cc1ccc(C)s1)CC(C)C.
What is the InChIKey of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol?
The InChIKey is ABVLZTCIRZZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-5-13(16)9-15(8-11(2)3)10-14-7-6-12(4)17-14/h6-7,11,13,16H,5,8-10H2,1-4H3.
What are the key properties of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol?
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol has a molecular weight of 255.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 24714016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).