N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine

C16H24ClNS — CID 107361282

IUPACN-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2sccc2Cl)C1
InChIInChI=1S/C16H24ClNS/c1-2-11-3-4-12(10-18-13-5-6-13)14(9-11)16-15(17)7-8-19-16/h7-8,11-14,18H,2-6,9-10H2,1H3
InChIKeyPTCLPRXXSFJDOZ-UHFFFAOYSA-N
MW297.89 g/mol
LogP5.06
Rot. Bonds5

About N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 107361282) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID107361282
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC NameN-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2sccc2Cl)C1
InChIInChI=1S/C16H24ClNS/c1-2-11-3-4-12(10-18-13-5-6-13)14(9-11)16-15(17)7-8-19-16/h7-8,11-14,18H,2-6,9-10H2,1H3
InChIKeyPTCLPRXXSFJDOZ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 114667485
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81029579
N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 107361277
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
N-[[4-tert-butyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]cyclopropanamine
CID 81023751
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 107361249
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 107361282) is N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(c2sccc2Cl)C1.
What is the InChIKey of N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is PTCLPRXXSFJDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-2-11-3-4-12(10-18-13-5-6-13)14(9-11)16-15(17)7-8-19-16/h7-8,11-14,18H,2-6,9-10H2,1H3.
What are the key properties of N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 297.89 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 107361282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).