N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine

C16H25NS — CID 68673458

IUPACN,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCSc1ccc(C2(CN(C)C)CCCCC2)cc1
InChIInChI=1S/C16H25NS/c1-17(2)13-16(11-5-4-6-12-16)14-7-9-15(18-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3
InChIKeyAWEAQYLFGOXJHA-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.17
Rot. Bonds4

About N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine

N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine (PubChem CID 68673458) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine
PubChem CID68673458
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCSc1ccc(C2(CN(C)C)CCCCC2)cc1
InChIInChI=1S/C16H25NS/c1-17(2)13-16(11-5-4-6-12-16)14-7-9-15(18-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3
InChIKeyAWEAQYLFGOXJHA-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine (CID 68673458) is N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine is CSc1ccc(C2(CN(C)C)CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine?
The InChIKey is AWEAQYLFGOXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-17(2)13-16(11-5-4-6-12-16)14-7-9-15(18-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine?
N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine has a molecular weight of 263.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(4-methylsulfanylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 68673458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).