2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine

C14H31NO2S — CID 55161198

IUPAC2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine
SMILESCCCC(C)(CCCS(C)(=O)=O)CNCC(C)C
InChIInChI=1S/C14H31NO2S/c1-6-8-14(4,12-15-11-13(2)3)9-7-10-18(5,16)17/h13,15H,6-12H2,1-5H3
InChIKeyIZWCKCDTMLRWMI-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.86
Rot. Bonds10

About 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine

2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine (PubChem CID 55161198) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine
PubChem CID55161198
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine
SMILESCCCC(C)(CCCS(C)(=O)=O)CNCC(C)C
InChIInChI=1S/C14H31NO2S/c1-6-8-14(4,12-15-11-13(2)3)9-7-10-18(5,16)17/h13,15H,6-12H2,1-5H3
InChIKeyIZWCKCDTMLRWMI-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2-methyl-2-(2-methylsulfonylethyl)-N-propylpentan-1-amine
CID 62723813
2-methyl-5-methylsulfonyl-2-propylpentan-1-ol
CID 66025452
N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195562
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63699320
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
CID 62262511
2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 105408222
4,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 63192481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine (CID 55161198) is 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine is CCCC(C)(CCCS(C)(=O)=O)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine?
The InChIKey is IZWCKCDTMLRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-6-8-14(4,12-15-11-13(2)3)9-7-10-18(5,16)17/h13,15H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine?
2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine has a molecular weight of 277.47 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine is sourced from PubChem (CID 55161198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).