N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine

C11H26N2OS — CID 107446156

IUPACN'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine
SMILESCC(CCNCCNC(C)(C)C)S(C)=O
InChIInChI=1S/C11H26N2OS/c1-10(15(5)14)6-7-12-8-9-13-11(2,3)4/h10,12-13H,6-9H2,1-5H3
InChIKeyOLRYQHPTZKYXIC-UHFFFAOYSA-N
MW234.41 g/mol
LogP1.12
Rot. Bonds7

About N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine

N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine (PubChem CID 107446156) has the molecular formula C11H26N2OS and a molecular weight of 234.41 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine
PubChem CID107446156
Molecular FormulaC11H26N2OS
Molecular Weight234.41 g/mol
Exact Mass234.18
IUPAC NameN'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine
SMILESCC(CCNCCNC(C)(C)C)S(C)=O
InChIInChI=1S/C11H26N2OS/c1-10(15(5)14)6-7-12-8-9-13-11(2,3)4/h10,12-13H,6-9H2,1-5H3
InChIKeyOLRYQHPTZKYXIC-UHFFFAOYSA-N
XLogP1.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylsulfonylethyl)-3-methylsulfinylbutan-1-amine
CID 106724475
2-methyl-1-(3-methylsulfinylbutylamino)butan-2-ol
CID 114493706
3-methyl-N-(3-methylsulfinylbutyl)but-3-en-1-amine
CID 114472578
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine
CID 115894594
2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894477
3-methylsulfinyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 115711563
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
CID 64652936
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine (CID 107446156) is N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine is CC(CCNCCNC(C)(C)C)S(C)=O.
What is the InChIKey of N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine?
The InChIKey is OLRYQHPTZKYXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2OS/c1-10(15(5)14)6-7-12-8-9-13-11(2,3)4/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine?
N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine has a molecular weight of 234.41 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 107446156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).