N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine

C14H30N2O2S — CID 79066675

IUPACN,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-15-13(9-8-12-19(4,17)18)14(16(2)3)10-6-5-7-11-14/h13,15H,5-12H2,1-4H3
InChIKeyBWFACFFWZMBZBC-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.66
Rot. Bonds7

About N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine

N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine (PubChem CID 79066675) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
PubChem CID79066675
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-15-13(9-8-12-19(4,17)18)14(16(2)3)10-6-5-7-11-14/h13,15H,5-12H2,1-4H3
InChIKeyBWFACFFWZMBZBC-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine (CID 79066675) is N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine is CNC(CCCS(C)(=O)=O)C1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine?
The InChIKey is BWFACFFWZMBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-15-13(9-8-12-19(4,17)18)14(16(2)3)10-6-5-7-11-14/h13,15H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine?
N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine has a molecular weight of 290.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine is sourced from PubChem (CID 79066675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).