N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride

C16H23ClN2S — CID 3028230

IUPACN,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCC(C)c1cc2ccccc2nc1SCCN(C)C.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-12(2)14-11-13-7-5-6-8-15(13)17-16(14)19-10-9-18(3)4;/h5-8,11-12H,9-10H2,1-4H3;1H
InChIKeyVUKDHRQGHZISMW-UHFFFAOYSA-N
MW310.89 g/mol
LogP4.43
Rot. Bonds5

About N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride

N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride (PubChem CID 3028230) has the molecular formula C16H23ClN2S and a molecular weight of 310.89 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride
PubChem CID3028230
Molecular FormulaC16H23ClN2S
Molecular Weight310.89 g/mol
Exact Mass310.13
IUPAC NameN,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCC(C)c1cc2ccccc2nc1SCCN(C)C.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-12(2)14-11-13-7-5-6-8-15(13)17-16(14)19-10-9-18(3)4;/h5-8,11-12H,9-10H2,1-4H3;1H
InChIKeyVUKDHRQGHZISMW-UHFFFAOYSA-N
XLogP4.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride (CID 3028230) is N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride is CC(C)c1cc2ccccc2nc1SCCN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The InChIKey is VUKDHRQGHZISMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S.ClH/c1-12(2)14-11-13-7-5-6-8-15(13)17-16(14)19-10-9-18(3)4;/h5-8,11-12H,9-10H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride?
N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-propan-2-ylquinolin-2-yl)sulfanylethanamine;hydrochloride is sourced from PubChem (CID 3028230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).