(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine

C10H18N2 — CID 11240701

IUPAC(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine
SMILESC[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12
InChIInChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
InChIKeyWFMGCLWNKZKHCB-IWSPIJDZSA-N
MW166.27 g/mol
LogP1.94
Rot. Bonds

About (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine

(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine (PubChem CID 11240701) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine.

Molecular Properties

Compound Name(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine
PubChem CID11240701
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine
SMILESC[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12
InChIInChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
InChIKeyWFMGCLWNKZKHCB-IWSPIJDZSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine with MolForge

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Related Compounds

(5S,6R)-[Octahydro-quinolin-(2E)-ylidene]amine
CID 44399940
(5S,6S)-[Octahydro-quinolin-(2E)-ylidene]amine
CID 44399941
3H-Cyclopenta[b]pyridin-2-amine, 4,4a,5,6,7,7a-hexahydro-4-methyl-, (4R,4aR,7aR)-
CID 10313224
(4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-ylideneamine
CID 10034809
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10398018
(4R,6R,9R)-4-Methyl-decahydro-cyclohepta[b]pyridin-(2E)-ylideneamine
CID 44399796
(4S,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 44399834
(4R,4aS,5S)-4-Methyl-octahydro-quinolin-(2E)-ylideneamine
CID 44399945
6,7-Dimethyl-4a,5,6,7,8,8a-hexahydro-quinazoline-2,4-diamine
CID 44462183
2-Imino-6-cyclohexylmethylpiperidine
CID 10799502
6-Cyclohexyl-piperidin-(2Z)-ylideneamine
CID 10822632
7-(2-Ethyl-butyl)-azepan-(2Z)-ylideneamine; hydrochloride
CID 15887952

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
The IUPAC name of (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine (CID 11240701) is (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine.
What is the SMILES notation for (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
The canonical SMILES for (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine is C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12.
What is the InChIKey of (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
The InChIKey is WFMGCLWNKZKHCB-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1.
What are the key properties of (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine is sourced from PubChem (CID 11240701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).