1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine

C14H29NO3S — CID 116767832

IUPAC1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H29NO3S/c1-12-7-5-9-14(11-12,18-3)13(15-2)8-6-10-19(4,16)17/h12-13,15H,5-11H2,1-4H3
InChIKeyKEIGUGNIELCVNB-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.99
Rot. Bonds7

About 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine

1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 116767832) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID116767832
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H29NO3S/c1-12-7-5-9-14(11-12,18-3)13(15-2)8-6-10-19(4,16)17/h12-13,15H,5-11H2,1-4H3
InChIKeyKEIGUGNIELCVNB-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116768268
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
CID 116767736
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 105277043
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762936
1-(1-methoxycycloheptyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 116770476
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
CID 116767848
1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
CID 104610727
1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine
CID 105277567

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 116767832) is 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is KEIGUGNIELCVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-12-7-5-9-14(11-12,18-3)13(15-2)8-6-10-19(4,16)17/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 116767832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).