methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline

C16H30N2S — CID 142484435

IUPACmethanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)C.CN.CSc1cccc2c1CCCN2
InChIInChI=1S/C10H13NS.C5H12.CH5N/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;1-4-5(2)3;1-2/h2,5-6,11H,3-4,7H2,1H3;5H,4H2,1-3H3;2H2,1H3
InChIKeyBGJGRHADJVARBW-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.39
Rot. Bonds2

About methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline

methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline (PubChem CID 142484435) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Namemethanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline
PubChem CID142484435
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Namemethanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)C.CN.CSc1cccc2c1CCCN2
InChIInChI=1S/C10H13NS.C5H12.CH5N/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;1-4-5(2)3;1-2/h2,5-6,11H,3-4,7H2,1H3;5H,4H2,1-3H3;2H2,1H3
InChIKeyBGJGRHADJVARBW-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline (CID 142484435) is methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline is CCC(C)C.CN.CSc1cccc2c1CCCN2.
What is the InChIKey of methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BGJGRHADJVARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.C5H12.CH5N/c1-12-10-6-2-5-9-8(10)4-3-7-11-9;1-4-5(2)3;1-2/h2,5-6,11H,3-4,7H2,1H3;5H,4H2,1-3H3;2H2,1H3.
What are the key properties of methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline?
methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 282.50 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142484435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).