N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine

C11H26N2O2S — CID 104519219

IUPACN-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCNCC(C)S(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-10(2)8-12-6-5-7-13-9-11(3)16(4,14)15/h10-13H,5-9H2,1-4H3
InChIKeyWISXHVMUHVSCCQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.64
Rot. Bonds9

About N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine

N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine (PubChem CID 104519219) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
PubChem CID104519219
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCNCC(C)S(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-10(2)8-12-6-5-7-13-9-11(3)16(4,14)15/h10-13H,5-9H2,1-4H3
InChIKeyWISXHVMUHVSCCQ-UHFFFAOYSA-N
XLogP0.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 113422063
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 104519156
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
CID 106732243
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide
CID 118903147
4-(2-methylpropylamino)butanoic acid
CID 18071581

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine (CID 104519219) is N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine is CC(C)CNCCCNCC(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is WISXHVMUHVSCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2)8-12-6-5-7-13-9-11(3)16(4,14)15/h10-13H,5-9H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine?
N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine is sourced from PubChem (CID 104519219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).