1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

C13H30N2O2S — CID 115900721

IUPAC1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCCS(=O)(=O)CC(C)NCC(CC(C)C)N(C)C
InChIInChI=1S/C13H30N2O2S/c1-7-18(16,17)10-12(4)14-9-13(15(5)6)8-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyQHIPIRMMLMXVJO-UHFFFAOYSA-N
MW278.46 g/mol
LogP1.38
Rot. Bonds9

About 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 115900721) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID115900721
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC Name1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCCS(=O)(=O)CC(C)NCC(CC(C)C)N(C)C
InChIInChI=1S/C13H30N2O2S/c1-7-18(16,17)10-12(4)14-9-13(15(5)6)8-11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyQHIPIRMMLMXVJO-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43111554
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724
5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
CID 107705372
N-[2-(dimethylamino)-4-methylpentyl]-2-(methylamino)acetamide
CID 61275240
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-2-methylpropanamide
CID 61264103
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 115900721) is 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is CCS(=O)(=O)CC(C)NCC(CC(C)C)N(C)C.
What is the InChIKey of 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is QHIPIRMMLMXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-7-18(16,17)10-12(4)14-9-13(15(5)6)8-11(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 278.46 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 115900721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).