N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine

C17H30N2S — CID 115987569

IUPACN-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(C)C(C)CSC
InChIInChI=1S/C17H30N2S/c1-6-18-17(16-10-8-7-9-11-16)14(2)12-19(4)15(3)13-20-5/h7-11,14-15,17-18H,6,12-13H2,1-5H3
InChIKeyWYSBIRLEKBGBRP-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.66
Rot. Bonds9

About N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine

N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine (PubChem CID 115987569) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
PubChem CID115987569
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(C)C(C)CSC
InChIInChI=1S/C17H30N2S/c1-6-18-17(16-10-8-7-9-11-16)14(2)12-19(4)15(3)13-20-5/h7-11,14-15,17-18H,6,12-13H2,1-5H3
InChIKeyWYSBIRLEKBGBRP-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine (CID 115987569) is N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine is CCNC(c1ccccc1)C(C)CN(C)C(C)CSC.
What is the InChIKey of N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is WYSBIRLEKBGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-18-17(16-10-8-7-9-11-16)14(2)12-19(4)15(3)13-20-5/h7-11,14-15,17-18H,6,12-13H2,1-5H3.
What are the key properties of N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine?
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 294.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 115987569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).