(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride

C13H26ClN — CID 56935634

IUPAC(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
SMILESCCC[C@@H]1CC[C@H]2[C@H](C)CCC[C@@H]2N1.Cl
InChIInChI=1S/C13H25N.ClH/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11;/h10-14H,3-9H2,1-2H3;1H/t10-,11-,12+,13+;/m1./s1
InChIKeyJVSDWPKAFPOXAU-RBJGKPSLSA-N
MW231.81 g/mol
LogP3.77
Rot. Bonds2

About (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride

(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride (PubChem CID 56935634) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride.

Molecular Properties

Compound Name(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
PubChem CID56935634
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
SMILESCCC[C@@H]1CC[C@H]2[C@H](C)CCC[C@@H]2N1.Cl
InChIInChI=1S/C13H25N.ClH/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11;/h10-14H,3-9H2,1-2H3;1H/t10-,11-,12+,13+;/m1./s1
InChIKeyJVSDWPKAFPOXAU-RBJGKPSLSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride with MolForge

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Related Compounds

(2S,4aS,5R,8aR)-2-ethyl-5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 101040056
2,5-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 85289021
(6S)-2-methyl-6-propylpiperidine;hydrochloride
CID 70018232
(2R)-2,5-dipropylpyrrolidine
CID 143543976
2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,3S,6R)-2-methyl-6-propylpiperidin-3-ol
CID 11790065
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
CID 10399452
(2S,6R)-2-methyl-6-pentadecylpiperidine;hydrochloride
CID 24774422
(2S,6R)-2-methyl-6-nonylpiperidine;hydrochloride
CID 71739126

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The IUPAC name of (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride (CID 56935634) is (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride.
What is the SMILES notation for (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The canonical SMILES for (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride is CCC[C@@H]1CC[C@H]2[C@H](C)CCC[C@@H]2N1.Cl.
What is the InChIKey of (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The InChIKey is JVSDWPKAFPOXAU-RBJGKPSLSA-N. The full InChI is InChI=1S/C13H25N.ClH/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11;/h10-14H,3-9H2,1-2H3;1H/t10-,11-,12+,13+;/m1./s1.
What are the key properties of (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
(2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride has a molecular weight of 231.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,5R,8aS)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride is sourced from PubChem (CID 56935634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).