N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine

C19H32N2S — CID 170610697

IUPACN-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine
SMILESCCC(C)Nc1cc(SC)c2c(c1)C(C)C(C)C(C)(CC)N2
InChIInChI=1S/C19H32N2S/c1-8-12(3)20-15-10-16-13(4)14(5)19(6,9-2)21-18(16)17(11-15)22-7/h10-14,20-21H,8-9H2,1-7H3
InChIKeyKCCXDYMQUMELMT-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.95
Rot. Bonds5

About N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine

N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine (PubChem CID 170610697) has the molecular formula C19H32N2S and a molecular weight of 320.55 g/mol. Its IUPAC name is N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine
PubChem CID170610697
Molecular FormulaC19H32N2S
Molecular Weight320.55 g/mol
Exact Mass320.23
IUPAC NameN-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine
SMILESCCC(C)Nc1cc(SC)c2c(c1)C(C)C(C)C(C)(CC)N2
InChIInChI=1S/C19H32N2S/c1-8-12(3)20-15-10-16-13(4)14(5)19(6,9-2)21-18(16)17(11-15)22-7/h10-14,20-21H,8-9H2,1-7H3
InChIKeyKCCXDYMQUMELMT-UHFFFAOYSA-N
XLogP5.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine?
The IUPAC name of N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine (CID 170610697) is N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine.
What is the SMILES notation for N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine?
The canonical SMILES for N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine is CCC(C)Nc1cc(SC)c2c(c1)C(C)C(C)C(C)(CC)N2.
What is the InChIKey of N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine?
The InChIKey is KCCXDYMQUMELMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2S/c1-8-12(3)20-15-10-16-13(4)14(5)19(6,9-2)21-18(16)17(11-15)22-7/h10-14,20-21H,8-9H2,1-7H3.
What are the key properties of N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine?
N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine has a molecular weight of 320.55 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethyl-2,3,4-trimethyl-8-methylsulfanyl-3,4-dihydro-1H-quinolin-6-amine is sourced from PubChem (CID 170610697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).