2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine

C19H27NS — CID 63995668

IUPAC2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1c(C(C)NC2CCC(C)CC2C)sc2ccccc12
InChIInChI=1S/C19H27NS/c1-12-9-10-17(13(2)11-12)20-15(4)19-14(3)16-7-5-6-8-18(16)21-19/h5-8,12-13,15,17,20H,9-11H2,1-4H3
InChIKeyHEONDHDDYUEVRA-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.69
Rot. Bonds3

About 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine

2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 63995668) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
PubChem CID63995668
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
SMILESCc1c(C(C)NC2CCC(C)CC2C)sc2ccccc12
InChIInChI=1S/C19H27NS/c1-12-9-10-17(13(2)11-12)20-15(4)19-14(3)16-7-5-6-8-18(16)21-19/h5-8,12-13,15,17,20H,9-11H2,1-4H3
InChIKeyHEONDHDDYUEVRA-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-1-benzothiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411946
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62962024
3-methoxy-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 104871139
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996638
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024105
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
CID 63450474

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine (CID 63995668) is 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine is Cc1c(C(C)NC2CCC(C)CC2C)sc2ccccc12.
What is the InChIKey of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is HEONDHDDYUEVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-12-9-10-17(13(2)11-12)20-15(4)19-14(3)16-7-5-6-8-18(16)21-19/h5-8,12-13,15,17,20H,9-11H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine?
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63995668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).