N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine

C18H31NS — CID 81029489

IUPACN-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CCc1cccs1
InChIInChI=1S/C18H31NS/c1-4-19-13-17-8-7-15(14(2)3)12-16(17)9-10-18-6-5-11-20-18/h5-6,11,14-17,19H,4,7-10,12-13H2,1-3H3
InChIKeyVRNVWZDJJZOSDD-UHFFFAOYSA-N
MW293.52 g/mol
LogP4.98
Rot. Bonds7

About N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine

N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine (PubChem CID 81029489) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
PubChem CID81029489
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CCc1cccs1
InChIInChI=1S/C18H31NS/c1-4-19-13-17-8-7-15(14(2)3)12-16(17)9-10-18-6-5-11-20-18/h5-6,11,14-17,19H,4,7-10,12-13H2,1-3H3
InChIKeyVRNVWZDJJZOSDD-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681
2-[2-(3-chloro-2-methylcyclopentyl)ethyl]thiophene
CID 64909685
N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029843
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022477
N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026249

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine (CID 81029489) is N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1CCc1cccs1.
What is the InChIKey of N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is VRNVWZDJJZOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-19-13-17-8-7-15(14(2)3)12-16(17)9-10-18-6-5-11-20-18/h5-6,11,14-17,19H,4,7-10,12-13H2,1-3H3.
What are the key properties of N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine?
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 293.52 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).