N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine

C18H29NS — CID 64634391

IUPACN,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1SCc1ccccc1C
InChIInChI=1S/C18H29NS/c1-4-15-10-11-17(19-5-2)18(12-15)20-13-16-9-7-6-8-14(16)3/h6-9,15,17-19H,4-5,10-13H2,1-3H3
InChIKeyZQAOQOIQJTUHOG-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.79
Rot. Bonds6

About N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine

N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine (PubChem CID 64634391) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
PubChem CID64634391
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1SCc1ccccc1C
InChIInChI=1S/C18H29NS/c1-4-15-10-11-17(19-5-2)18(12-15)20-13-16-9-7-6-8-14(16)3/h6-9,15,17-19H,4-5,10-13H2,1-3H3
InChIKeyZQAOQOIQJTUHOG-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine (CID 64634391) is N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1SCc1ccccc1C.
What is the InChIKey of N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The InChIKey is ZQAOQOIQJTUHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-4-15-10-11-17(19-5-2)18(12-15)20-13-16-9-7-6-8-14(16)3/h6-9,15,17-19H,4-5,10-13H2,1-3H3.
What are the key properties of N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 64634391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).