1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine

C11H18N2S — CID 116909120

IUPAC1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
SMILESCCSc1ccc(C(N)N(C)C)cc1
InChIInChI=1S/C11H18N2S/c1-4-14-10-7-5-9(6-8-10)11(12)13(2)3/h5-8,11H,4,12H2,1-3H3
InChIKeyZVASUMXIPSQUIU-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.32
Rot. Bonds4

About 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine

1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine (PubChem CID 116909120) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
PubChem CID116909120
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
SMILESCCSc1ccc(C(N)N(C)C)cc1
InChIInChI=1S/C11H18N2S/c1-4-14-10-7-5-9(6-8-10)11(12)13(2)3/h5-8,11H,4,12H2,1-3H3
InChIKeyZVASUMXIPSQUIU-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-ethylsulfanylphenyl)methanediamine
CID 116939199
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
2-(dimethylamino)-2-(4-ethylsulfanylphenyl)acetonitrile
CID 116909818
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
1-(dimethylamino)-1-(4-ethylsulfanylphenyl)-2-methylpropan-2-ol
CID 116911368
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
1-[amino-(4-ethylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 116947074

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine (CID 116909120) is 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine is CCSc1ccc(C(N)N(C)C)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine?
The InChIKey is ZVASUMXIPSQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-14-10-7-5-9(6-8-10)11(12)13(2)3/h5-8,11H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine?
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine has a molecular weight of 210.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine is sourced from PubChem (CID 116909120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).