N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine

C17H29NS — CID 81029579

IUPACN-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(c2sccc2C)C1
InChIInChI=1S/C17H29NS/c1-5-14-6-7-15(11-18-12(2)3)16(10-14)17-13(4)8-9-19-17/h8-9,12,14-16,18H,5-7,10-11H2,1-4H3
InChIKeyGHSMXBXWCJSQPM-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.96
Rot. Bonds5

About N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine

N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81029579) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID81029579
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(c2sccc2C)C1
InChIInChI=1S/C17H29NS/c1-5-14-6-7-15(11-18-12(2)3)16(10-14)17-13(4)8-9-19-17/h8-9,12,14-16,18H,5-7,10-11H2,1-4H3
InChIKeyGHSMXBXWCJSQPM-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029796
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
2-(3-methylthiophen-2-yl)-4-propylcyclohexan-1-amine
CID 81014515
N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine
CID 81030095
N-[[4-tert-butyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]cyclopropanamine
CID 81023751
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
2-ethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-ol
CID 81416541
N-[[2-(ethoxymethyl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029725
1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81032227
N-[[2-(2,5-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017220
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine (CID 81029579) is N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine is CCC1CCC(CNC(C)C)C(c2sccc2C)C1.
What is the InChIKey of N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is GHSMXBXWCJSQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-14-6-7-15(11-18-12(2)3)16(10-14)17-13(4)8-9-19-17/h8-9,12,14-16,18H,5-7,10-11H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine?
N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 279.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81029579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).