N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine

C16H26ClNS — CID 81029796

IUPACN-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C16H26ClNS/c1-4-12-5-6-13(10-18-11(2)3)14(9-12)15-7-8-16(17)19-15/h7-8,11-14,18H,4-6,9-10H2,1-3H3
InChIKeyVOZAAYYYFQFRQM-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.31
Rot. Bonds5

About N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine

N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine (PubChem CID 81029796) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
PubChem CID81029796
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C16H26ClNS/c1-4-12-5-6-13(10-18-11(2)3)14(9-12)15-7-8-16(17)19-15/h7-8,11-14,18H,4-6,9-10H2,1-3H3
InChIKeyVOZAAYYYFQFRQM-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
N-[[4-ethyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81029579
2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81032227
1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81031868
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
CID 81025679
[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012904
[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine
CID 81011696
N-[[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81033689

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine (CID 81029796) is N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine is CCC1CCC(CNC(C)C)C(c2ccc(Cl)s2)C1.
What is the InChIKey of N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine?
The InChIKey is VOZAAYYYFQFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-4-12-5-6-13(10-18-11(2)3)14(9-12)15-7-8-16(17)19-15/h7-8,11-14,18H,4-6,9-10H2,1-3H3.
What are the key properties of N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine?
N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine has a molecular weight of 299.91 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81029796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).