N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine

C15H26N2S — CID 115202469

IUPACN,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
SMILESCC(CCN)CN(C)c1ccc(SC(C)C)cc1
InChIInChI=1S/C15H26N2S/c1-12(2)18-15-7-5-14(6-8-15)17(4)11-13(3)9-10-16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyQBGWSUCFDBWEKN-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.61
Rot. Bonds7

About N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine

N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine (PubChem CID 115202469) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
PubChem CID115202469
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
SMILESCC(CCN)CN(C)c1ccc(SC(C)C)cc1
InChIInChI=1S/C15H26N2S/c1-12(2)18-15-7-5-14(6-8-15)17(4)11-13(3)9-10-16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyQBGWSUCFDBWEKN-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine (CID 115202469) is N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine is CC(CCN)CN(C)c1ccc(SC(C)C)cc1.
What is the InChIKey of N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine?
The InChIKey is QBGWSUCFDBWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)18-15-7-5-14(6-8-15)17(4)11-13(3)9-10-16/h5-8,12-13H,9-11,16H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine?
N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine is sourced from PubChem (CID 115202469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).