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

C13H25N — CID 10703021

IUPAC(2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCCC[C@@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1
InChIInChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKeyPSGDYNNBBROEEW-FVCCEPFGSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds2

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

(2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 10703021) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name(2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID10703021
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCCC[C@@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1
InChIInChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKeyPSGDYNNBBROEEW-FVCCEPFGSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 10703021) is (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CCC[C@@H]1CC[C@H]2[C@H](C)CCC[C@H]2N1.
What is the InChIKey of (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is PSGDYNNBBROEEW-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-11-8-9-12-10(2)6-4-7-13(12)14-11/h10-14H,3-9H2,1-2H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
(2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 195.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,5R,8aR)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 10703021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).