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

C17H34N2 — CID 102728264

IUPAC3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C17H34N2/c1-14(2)18-12-17(3,4)13-19-11-7-9-15-8-5-6-10-16(15)19/h14-16,18H,5-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyMAAWRYZHUCUGJA-HZPDHXFCSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

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

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 102728264) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID102728264
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C17H34N2/c1-14(2)18-12-17(3,4)13-19-11-7-9-15-8-5-6-10-16(15)19/h14-16,18H,5-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyMAAWRYZHUCUGJA-HZPDHXFCSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 102725900
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82752526
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 102727949
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454058
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102728025
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 102726837
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62258697
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutan-2-amine
CID 79811502
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65320192
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
N-[[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclopentyl]methyl]propan-2-amine
CID 102728272

Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 102728264) is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(C)CN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is MAAWRYZHUCUGJA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(2)18-12-17(3,4)13-19-11-7-9-15-8-5-6-10-16(15)19/h14-16,18H,5-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102728264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).