1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C16H27NS — CID 63477674

IUPAC1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C)s1)C1CCCCC1
InChIInChI=1S/C16H27NS/c1-4-15(14-8-6-5-7-9-14)17-13(3)16-11-10-12(2)18-16/h10-11,13-15,17H,4-9H2,1-3H3
InChIKeyVKMGCJFXFORFDD-UHFFFAOYSA-N
MW265.47 g/mol
LogP5.07
Rot. Bonds5

About 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 63477674) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID63477674
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C)s1)C1CCCCC1
InChIInChI=1S/C16H27NS/c1-4-15(14-8-6-5-7-9-14)17-13(3)16-11-10-12(2)18-16/h10-11,13-15,17H,4-9H2,1-3H3
InChIKeyVKMGCJFXFORFDD-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
2-[1-(1-cyclohexylpropylamino)ethyl]benzene-1,3-diol
CID 107710925
4-[1-(1-cyclohexylpropylamino)ethyl]phenol
CID 62407507
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
2-(1-bromo-2-cycloheptylethyl)-5-methylthiophene
CID 114458690
1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115901716
1-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64919929
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
2-[bromo(cyclopentyl)methyl]-5-methylthiophene
CID 63435697

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 63477674) is 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is CCC(NC(C)c1ccc(C)s1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is VKMGCJFXFORFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-15(14-8-6-5-7-9-14)17-13(3)16-11-10-12(2)18-16/h10-11,13-15,17H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63477674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).