N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine

C22H26N2S — CID 1044059

IUPACN,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccccc1Sc1cccc2ccccc12
InChIInChI=1S/C22H26N2S/c1-23(2)15-16-24(3)17-19-10-5-7-13-21(19)25-22-14-8-11-18-9-4-6-12-20(18)22/h4-14H,15-17H2,1-3H3
InChIKeyFGNAPWDGOUVUBN-UHFFFAOYSA-N
MW350.53 g/mol
LogP4.98
Rot. Bonds7

About N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine (PubChem CID 1044059) has the molecular formula C22H26N2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine
PubChem CID1044059
Molecular FormulaC22H26N2S
Molecular Weight350.53 g/mol
Exact Mass350.18
IUPAC NameN,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccccc1Sc1cccc2ccccc12
InChIInChI=1S/C22H26N2S/c1-23(2)15-16-24(3)17-19-10-5-7-13-21(19)25-22-14-8-11-18-9-4-6-12-20(18)22/h4-14H,15-17H2,1-3H3
InChIKeyFGNAPWDGOUVUBN-UHFFFAOYSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine (CID 1044059) is N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine is CN(C)CCN(C)Cc1ccccc1Sc1cccc2ccccc12.
What is the InChIKey of N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is FGNAPWDGOUVUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2S/c1-23(2)15-16-24(3)17-19-10-5-7-13-21(19)25-22-14-8-11-18-9-4-6-12-20(18)22/h4-14H,15-17H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 350.53 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(2-naphthalen-1-ylsulfanylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 1044059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).