N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine

C15H19NS — CID 46892772

IUPACN,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine
SMILESCN(C)CCCSc1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-16(2)11-6-12-17-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyOAHBBOIZKLKHLF-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.88
Rot. Bonds5

About N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine

N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine (PubChem CID 46892772) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine
PubChem CID46892772
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine
SMILESCN(C)CCCSc1cccc2ccccc12
InChIInChI=1S/C15H19NS/c1-16(2)11-6-12-17-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyOAHBBOIZKLKHLF-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acridin-9-ylsulfanyl-N,N-dimethylpropan-1-amine
CID 3015682
N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine
CID 45034457
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
2-(7-naphthalen-1-ylsulfanylheptyl)isoindole-1,3-dione
CID 139959390
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
2,13-bis(decylsulfanyl)tricyclo[12.8.0.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 154692254
3-anthracen-1-ylsulfanylpropan-1-ol
CID 175024466
2-[3-(dimethylamino)propylsulfanyl]-1H-indole-3-carbaldehyde
CID 15399137
N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine
CID 70548280
2-[3-(dimethylamino)propyl-methylamino]-1-naphthalen-1-ylethanol
CID 63700824
3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one
CID 12667048
2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine (CID 46892772) is N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine is CN(C)CCCSc1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine?
The InChIKey is OAHBBOIZKLKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-16(2)11-6-12-17-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,6,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine?
N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine is sourced from PubChem (CID 46892772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).