N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine

C16H25NS — CID 79227744

IUPACN,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CCSc1ccccc1
InChIInChI=1S/C16H25NS/c1-13-8-9-16(17-2)14(12-13)10-11-18-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyHJERNPHVFCCWHU-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.19
Rot. Bonds5

About N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine

N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine (PubChem CID 79227744) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine
PubChem CID79227744
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine
SMILESCNC1CCC(C)CC1CCSc1ccccc1
InChIInChI=1S/C16H25NS/c1-13-8-9-16(17-2)14(12-13)10-11-18-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyHJERNPHVFCCWHU-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine (CID 79227744) is N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine is CNC1CCC(C)CC1CCSc1ccccc1.
What is the InChIKey of N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is HJERNPHVFCCWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-13-8-9-16(17-2)14(12-13)10-11-18-15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3.
What are the key properties of N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine?
N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 79227744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).