4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine

C14H34N4OS — CID 87253840

IUPAC4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCN(C)C(C)(CN)CCS(=O)CCC(C)(CN)N(C)C
InChIInChI=1S/C14H34N4OS/c1-13(11-15,17(3)4)7-9-20(19)10-8-14(2,12-16)18(5)6/h7-12,15-16H2,1-6H3
InChIKeyWOKAXTMFTFOGPQ-UHFFFAOYSA-N
MW306.52 g/mol
LogP0.07
Rot. Bonds10

About 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine

4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 87253840) has the molecular formula C14H34N4OS and a molecular weight of 306.52 g/mol. Its IUPAC name is 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID87253840
Molecular FormulaC14H34N4OS
Molecular Weight306.52 g/mol
Exact Mass306.25
IUPAC Name4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCN(C)C(C)(CN)CCS(=O)CCC(C)(CN)N(C)C
InChIInChI=1S/C14H34N4OS/c1-13(11-15,17(3)4)7-9-20(19)10-8-14(2,12-16)18(5)6/h7-12,15-16H2,1-6H3
InChIKeyWOKAXTMFTFOGPQ-UHFFFAOYSA-N
XLogP0.07
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 87253840) is 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine is CN(C)C(C)(CN)CCS(=O)CCC(C)(CN)N(C)C.
What is the InChIKey of 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is WOKAXTMFTFOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4OS/c1-13(11-15,17(3)4)7-9-20(19)10-8-14(2,12-16)18(5)6/h7-12,15-16H2,1-6H3.
What are the key properties of 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 306.52 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 87253840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).