2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine

C17H24N2S — CID 60811790

IUPAC2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine
SMILESCCN(c1cccc2ccccc12)C(CN)CCSC
InChIInChI=1S/C17H24N2S/c1-3-19(15(13-18)11-12-20-2)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15H,3,11-13,18H2,1-2H3
InChIKeyMODGFPBHYOORLW-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.75
Rot. Bonds7

About 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine

2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine (PubChem CID 60811790) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine
PubChem CID60811790
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine
SMILESCCN(c1cccc2ccccc12)C(CN)CCSC
InChIInChI=1S/C17H24N2S/c1-3-19(15(13-18)11-12-20-2)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15H,3,11-13,18H2,1-2H3
InChIKeyMODGFPBHYOORLW-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
CID 43428349
2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine
CID 43312452
2-N-ethyl-1-N-(2-methylpropyl)-2-N-naphthalen-1-ylpropane-1,2-diamine
CID 63491689
N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
CID 43184723
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine
CID 63492049
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424029
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
2-N,3-dimethyl-2-N-naphthalen-1-ylbutane-1,2-diamine
CID 115138094
1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
CID 91090782
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine (CID 60811790) is 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine is CCN(c1cccc2ccccc12)C(CN)CCSC.
What is the InChIKey of 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine?
The InChIKey is MODGFPBHYOORLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-19(15(13-18)11-12-20-2)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15H,3,11-13,18H2,1-2H3.
What are the key properties of 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine?
2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine has a molecular weight of 288.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine is sourced from PubChem (CID 60811790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).