N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine

C15H25NS — CID 81027905

IUPACN-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccc(C)s1
InChIInChI=1S/C15H25NS/c1-3-10-16-11-13-6-4-5-7-14(13)15-9-8-12(2)17-15/h8-9,13-14,16H,3-7,10-11H2,1-2H3
InChIKeySJIXLKLLEWZXKU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.33
Rot. Bonds5

About N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine

N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81027905) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
PubChem CID81027905
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccc(C)s1
InChIInChI=1S/C15H25NS/c1-3-10-16-11-13-6-4-5-7-14(13)15-9-8-12(2)17-15/h8-9,13-14,16H,3-7,10-11H2,1-2H3
InChIKeySJIXLKLLEWZXKU-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine 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

N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
CID 106784550
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81026756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine (CID 81027905) is N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1ccc(C)s1.
What is the InChIKey of N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is SJIXLKLLEWZXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-10-16-11-13-6-4-5-7-14(13)15-9-8-12(2)17-15/h8-9,13-14,16H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81027905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).