N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine

C18H29NS — CID 63436798

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCSc1ccc(C(C)NC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29NS/c1-13(2)15-5-9-17(10-6-15)19-14(3)16-7-11-18(20-4)12-8-16/h7-8,11-15,17,19H,5-6,9-10H2,1-4H3
InChIKeyAGDITNUWYPOFCL-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.27
Rot. Bonds5

About N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine

N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63436798) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63436798
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCSc1ccc(C(C)NC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29NS/c1-13(2)15-5-9-17(10-6-15)19-14(3)16-7-11-18(20-4)12-8-16/h7-8,11-15,17,19H,5-6,9-10H2,1-4H3
InChIKeyAGDITNUWYPOFCL-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 63436798) is N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine is CSc1ccc(C(C)NC2CCC(C(C)C)CC2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is AGDITNUWYPOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-13(2)15-5-9-17(10-6-15)19-14(3)16-7-11-18(20-4)12-8-16/h7-8,11-15,17,19H,5-6,9-10H2,1-4H3.
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63436798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).