N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine

C16H34N2O2S — CID 79843903

IUPACN-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CCS(C)(=O)=O)CCC(C)CC1
InChIInChI=1S/C16H34N2O2S/c1-5-10-17-13-16(8-6-15(2)7-9-16)14-18(3)11-12-21(4,19)20/h15,17H,5-14H2,1-4H3
InChIKeyZLERHKSRMUZQDJ-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.16
Rot. Bonds9

About N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine

N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 79843903) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID79843903
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC NameN-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CCS(C)(=O)=O)CCC(C)CC1
InChIInChI=1S/C16H34N2O2S/c1-5-10-17-13-16(8-6-15(2)7-9-16)14-18(3)11-12-21(4,19)20/h15,17H,5-14H2,1-4H3
InChIKeyZLERHKSRMUZQDJ-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 81073788
4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 79858374
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclobutan-1-amine
CID 81170494

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine (CID 79843903) is N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN(C)CCS(C)(=O)=O)CCC(C)CC1.
What is the InChIKey of N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is ZLERHKSRMUZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-5-10-17-13-16(8-6-15(2)7-9-16)14-18(3)11-12-21(4,19)20/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 318.53 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 79843903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).