1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine

C13H30N2O2S — CID 64629299

IUPAC1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)CS(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-6-15(7-2)10-8-9-12(3)14-13(4)11-18(5,16)17/h12-14H,6-11H2,1-5H3
InChIKeyGHMVACDXSQFSFU-UHFFFAOYSA-N
MW278.46 g/mol
LogP1.52
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine (PubChem CID 64629299) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
PubChem CID64629299
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC Name1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)CS(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-6-15(7-2)10-8-9-12(3)14-13(4)11-18(5,16)17/h12-14H,6-11H2,1-5H3
InChIKeyGHMVACDXSQFSFU-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115900895
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 102867785
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
3-chloro-N-[5-(diethylamino)pentan-2-yl]propane-1-sulfonamide
CID 43654049
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
2-[5-(diethylamino)pentan-2-ylamino]-N-propylpropanamide
CID 43087341
2-[5-(diethylamino)pentan-2-ylsulfamoyl]propanoic acid
CID 61454676

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine (CID 64629299) is 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)NC(C)CS(C)(=O)=O.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine?
The InChIKey is GHMVACDXSQFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-6-15(7-2)10-8-9-12(3)14-13(4)11-18(5,16)17/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine has a molecular weight of 278.46 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 64629299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).