8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine

C14H17NSSe — CID 102252435

IUPAC8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine
SMILESCCS[Se]c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C14H17NSSe/c1-4-16-17-13-10-6-8-11-7-5-9-12(14(11)13)15(2)3/h5-10H,4H2,1-3H3
InChIKeyHIFRZVDNJOIXQS-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.90
Rot. Bonds4

About 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine

8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 102252435) has the molecular formula C14H17NSSe and a molecular weight of 310.32 g/mol. Its IUPAC name is 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine
PubChem CID102252435
Molecular FormulaC14H17NSSe
Molecular Weight310.32 g/mol
Exact Mass311.02
IUPAC Name8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine
SMILESCCS[Se]c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C14H17NSSe/c1-4-16-17-13-10-6-8-11-7-5-9-12(14(11)13)15(2)3/h5-10H,4H2,1-3H3
InChIKeyHIFRZVDNJOIXQS-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
8-[dichloro(ethyl)silyl]-N,N-dimethylnaphthalen-1-amine
CID 101060213
1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
CID 155936920
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
CID 86051450
8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine
CID 87741330
[8-(dimethylamino)naphthalen-1-yl]tellanyllithium
CID 140734839
bis[8-(dimethylamino)naphthalen-1-yl]-iodotellanium triiodide
CID 139159619
8-[[8-(dimethylamino)naphthalen-1-yl]-diethynylsilyl]-N,N-dimethylnaphthalen-1-amine
CID 101153069
N,N,1-trimethylbenzo[g]indol-9-amine
CID 91691308
4-N-[4-[4-(dimethylamino)-N-naphthalen-1-ylanilino]phenyl]-1-N,1-N-dimethyl-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 59806587
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
bis[2,6-bis(dimethylamino)phenyl]tin
CID 11282229

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine (CID 102252435) is 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine is CCS[Se]c1cccc2cccc(N(C)C)c12.
What is the InChIKey of 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine?
The InChIKey is HIFRZVDNJOIXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NSSe/c1-4-16-17-13-10-6-8-11-7-5-9-12(14(11)13)15(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine?
8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 310.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanylselanyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 102252435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).