6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

C17H27NOS — CID 79849446

IUPAC6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN(Cc2ccsc2)C2CC2)C1O
InChIInChI=1S/C17H27NOS/c1-17(2)8-3-4-14(16(17)19)11-18(15-5-6-15)10-13-7-9-20-12-13/h7,9,12,14-16,19H,3-6,8,10-11H2,1-2H3
InChIKeyAIPZQOODUBWEIB-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.90
Rot. Bonds5

About 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol

6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79849446) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79849446
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN(Cc2ccsc2)C2CC2)C1O
InChIInChI=1S/C17H27NOS/c1-17(2)8-3-4-14(16(17)19)11-18(15-5-6-15)10-13-7-9-20-12-13/h7,9,12,14-16,19H,3-6,8,10-11H2,1-2H3
InChIKeyAIPZQOODUBWEIB-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848238
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyrrolidin-3-ol
CID 66055367
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493524
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
CID 102731894
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849284
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol (CID 79849446) is 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN(Cc2ccsc2)C2CC2)C1O.
What is the InChIKey of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is AIPZQOODUBWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-17(2)8-3-4-14(16(17)19)11-18(15-5-6-15)10-13-7-9-20-12-13/h7,9,12,14-16,19H,3-6,8,10-11H2,1-2H3.
What are the key properties of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol?
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79849446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).