1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C14H27N — CID 176943757

IUPAC1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCC(C)CN1CCCC2CCCCC21
InChIInChI=1S/C14H27N/c1-3-12(2)11-15-10-6-8-13-7-4-5-9-14(13)15/h12-14H,3-11H2,1-2H3
InChIKeyGCTUGTITNCAOSG-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds3

About 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 176943757) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID176943757
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCC(C)CN1CCCC2CCCCC21
InChIInChI=1S/C14H27N/c1-3-12(2)11-15-10-6-8-13-7-4-5-9-14(13)15/h12-14H,3-11H2,1-2H3
InChIKeyGCTUGTITNCAOSG-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N,2-dimethylpropan-1-amine
CID 62432600
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 102728554
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62425984
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65320192
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)butan-1-amine
CID 65228222
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N,2-dimethylpropan-1-amine
CID 82749934
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpentan-2-amine
CID 102726819
1-(2-cyclopentylpyrrolidin-1-yl)pentan-2-ol
CID 62044329
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
CID 63912128
3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64826732

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 176943757) is 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCC(C)CN1CCCC2CCCCC21.
What is the InChIKey of 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is GCTUGTITNCAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-12(2)11-15-10-6-8-13-7-4-5-9-14(13)15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 209.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 176943757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).