(8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine

C10H16N2 — CID 89044535

IUPAC(8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine
SMILESCN[C@H]1CCCC2CC=CN=C21
InChIInChI=1S/C10H16N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h3,7-9,11H,2,4-6H2,1H3/t8?,9-/m0/s1
InChIKeyRFMJCSBRUFCDBL-GKAPJAKFSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds1

About (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine

(8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine (PubChem CID 89044535) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine
PubChem CID89044535
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine
SMILESCN[C@H]1CCCC2CC=CN=C21
InChIInChI=1S/C10H16N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h3,7-9,11H,2,4-6H2,1H3/t8?,9-/m0/s1
InChIKeyRFMJCSBRUFCDBL-GKAPJAKFSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine (CID 89044535) is (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine is CN[C@H]1CCCC2CC=CN=C21.
What is the InChIKey of (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine?
The InChIKey is RFMJCSBRUFCDBL-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h3,7-9,11H,2,4-6H2,1H3/t8?,9-/m0/s1.
What are the key properties of (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine?
(8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-4,4a,5,6,7,8-hexahydroquinolin-8-amine is sourced from PubChem (CID 89044535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).