2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine

C19H33NS — CID 81025989

IUPAC2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(Cc2cccs2)C1
InChIInChI=1S/C19H33NS/c1-5-7-15-9-10-16(14-20-19(2,3)4)17(12-15)13-18-8-6-11-21-18/h6,8,11,15-17,20H,5,7,9-10,12-14H2,1-4H3
InChIKeyWDULMUUBQQUUCU-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.51
Rot. Bonds6

About 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81025989) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81025989
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCC1CCC(CNC(C)(C)C)C(Cc2cccs2)C1
InChIInChI=1S/C19H33NS/c1-5-7-15-9-10-16(14-20-19(2,3)4)17(12-15)13-18-8-6-11-21-18/h6,8,11,15-17,20H,5,7,9-10,12-14H2,1-4H3
InChIKeyWDULMUUBQQUUCU-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-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

Related Compounds

N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
N-[[2-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022120
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022477
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
CID 81017241
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 81025989) is 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine is CCCC1CCC(CNC(C)(C)C)C(Cc2cccs2)C1.
What is the InChIKey of 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is WDULMUUBQQUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-5-7-15-9-10-16(14-20-19(2,3)4)17(12-15)13-18-8-6-11-21-18/h6,8,11,15-17,20H,5,7,9-10,12-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 307.55 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81025989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).