2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine

C15H31NO2S — CID 81024941

IUPAC2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCC1CCCS(C)(=O)=O
InChIInChI=1S/C15H31NO2S/c1-13(2)11-16-12-15-8-5-4-7-14(15)9-6-10-19(3,17)18/h13-16H,4-12H2,1-3H3
InChIKeySYCPFXUHUKLBJV-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.86
Rot. Bonds8

About 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81024941) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81024941
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCC1CCCS(C)(=O)=O
InChIInChI=1S/C15H31NO2S/c1-13(2)11-16-12-15-8-5-4-7-14(15)9-6-10-19(3,17)18/h13-16H,4-12H2,1-3H3
InChIKeySYCPFXUHUKLBJV-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034800
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114210659
1-chloro-2-(3-methylsulfonylpropyl)cycloheptane
CID 63195635
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine (CID 81024941) is 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine is CC(C)CNCC1CCCCC1CCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is SYCPFXUHUKLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-13(2)11-16-12-15-8-5-4-7-14(15)9-6-10-19(3,17)18/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81024941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).