2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine

C14H28N2 — CID 102725677

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H28N2/c1-3-14(2,11-15)16-10-6-8-12-7-4-5-9-13(12)16/h12-13H,3-11,15H2,1-2H3/t12-,13-,14?/m1/s1
InChIKeyXOMLLLJTNUQXTG-ZFXTZCCVSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds3

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine (PubChem CID 102725677) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
PubChem CID102725677
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H28N2/c1-3-14(2,11-15)16-10-6-8-12-7-4-5-9-13(12)16/h12-13H,3-11,15H2,1-2H3/t12-,13-,14?/m1/s1
InChIKeyXOMLLLJTNUQXTG-ZFXTZCCVSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine with MolForge

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
CID 113493229
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179040
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
CID 82747633
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutan-2-amine
CID 79811502
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-ethylbutan-1-amine
CID 65324892
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pentan-3-amine
CID 79812295
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
CID 82746702
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine (CID 102725677) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine is CCC(C)(CN)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine?
The InChIKey is XOMLLLJTNUQXTG-ZFXTZCCVSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-14(2,11-15)16-10-6-8-12-7-4-5-9-13(12)16/h12-13H,3-11,15H2,1-2H3/t12-,13-,14?/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 102725677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).