3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine

C18H29NS — CID 20573095

IUPAC3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine
SMILESCC(Cc1ccc(SC2CCCCC2)cc1)CN(C)C
InChIInChI=1S/C18H29NS/c1-15(14-19(2)3)13-16-9-11-18(12-10-16)20-17-7-5-4-6-8-17/h9-12,15,17H,4-8,13-14H2,1-3H3
InChIKeyFVYBUSAZFTYFEC-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.85
Rot. Bonds6

About 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine

3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine (PubChem CID 20573095) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine
PubChem CID20573095
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine
SMILESCC(Cc1ccc(SC2CCCCC2)cc1)CN(C)C
InChIInChI=1S/C18H29NS/c1-15(14-19(2)3)13-16-9-11-18(12-10-16)20-17-7-5-4-6-8-17/h9-12,15,17H,4-8,13-14H2,1-3H3
InChIKeyFVYBUSAZFTYFEC-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine (CID 20573095) is 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine is CC(Cc1ccc(SC2CCCCC2)cc1)CN(C)C.
What is the InChIKey of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine?
The InChIKey is FVYBUSAZFTYFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-15(14-19(2)3)13-16-9-11-18(12-10-16)20-17-7-5-4-6-8-17/h9-12,15,17H,4-8,13-14H2,1-3H3.
What are the key properties of 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine?
3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 20573095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).