N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine

C21H29NOS — CID 27143

IUPACN,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
SMILESCN(C)CCSCC(CC1CCCO1)c1cccc2ccccc12
InChIInChI=1S/C21H29NOS/c1-22(2)12-14-24-16-18(15-19-9-6-13-23-19)21-11-5-8-17-7-3-4-10-20(17)21/h3-5,7-8,10-11,18-19H,6,9,12-16H2,1-2H3
InChIKeyVTWJGBZXRRVCSX-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.79
Rot. Bonds8

About N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine

N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine (PubChem CID 27143) has the molecular formula C21H29NOS and a molecular weight of 343.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
PubChem CID27143
Molecular FormulaC21H29NOS
Molecular Weight343.54 g/mol
Exact Mass343.20
IUPAC NameN,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
SMILESCN(C)CCSCC(CC1CCCO1)c1cccc2ccccc12
InChIInChI=1S/C21H29NOS/c1-22(2)12-14-24-16-18(15-19-9-6-13-23-19)21-11-5-8-17-7-3-4-10-20(17)21/h3-5,7-8,10-11,18-19H,6,9,12-16H2,1-2H3
InChIKeyVTWJGBZXRRVCSX-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ammonium, (2-(2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propoxy)ethyl)trimethyl-, iodide
CID 18540
2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate
CID 27142
2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-S-(2-pyrrolidinoethyl)-
CID 39473
2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthyl)-
CID 39474
Trimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
CID 18541
Diethyl-methyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]azanium
CID 18768
N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
CID 27102
2-Naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol
CID 27104
4-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
CID 27106
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
2-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidine
CID 27169
N,N-diethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 52650

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine (CID 27143) is N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine is CN(C)CCSCC(CC1CCCO1)c1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine?
The InChIKey is VTWJGBZXRRVCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NOS/c1-22(2)12-14-24-16-18(15-19-9-6-13-23-19)21-11-5-8-17-7-3-4-10-20(17)21/h3-5,7-8,10-11,18-19H,6,9,12-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine?
N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine has a molecular weight of 343.54 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine is sourced from PubChem (CID 27143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).