N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine

C15H26N2S — CID 112661233

IUPACN'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
SMILESCSCC(C)N(C)CCCC(N)c1ccccc1
InChIInChI=1S/C15H26N2S/c1-13(12-18-3)17(2)11-7-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,16H2,1-3H3
InChIKeySOOOGJNCQSJGOI-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.15
Rot. Bonds8

About N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine

N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine (PubChem CID 112661233) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
PubChem CID112661233
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
SMILESCSCC(C)N(C)CCCC(N)c1ccccc1
InChIInChI=1S/C15H26N2S/c1-13(12-18-3)17(2)11-7-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,16H2,1-3H3
InChIKeySOOOGJNCQSJGOI-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
(3S)-3-amino-N-methyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-3-phenylpropanamide
CID 99601037
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-phenylbutan-1-one
CID 112662103
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 55090461
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine (CID 112661233) is N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine is CSCC(C)N(C)CCCC(N)c1ccccc1.
What is the InChIKey of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine?
The InChIKey is SOOOGJNCQSJGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-13(12-18-3)17(2)11-7-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,16H2,1-3H3.
What are the key properties of N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine?
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 112661233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).