1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C16H31N — CID 91731891

IUPAC1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCCC1CCCC2C1CCC(CCC)N2C
InChIInChI=1S/C16H31N/c1-4-7-13-9-6-10-16-15(13)12-11-14(8-5-2)17(16)3/h13-16H,4-12H2,1-3H3
InChIKeyLHVVNWLATYDCIT-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.47
Rot. Bonds4

About 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 91731891) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID91731891
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCCC1CCCC2C1CCC(CCC)N2C
InChIInChI=1S/C16H31N/c1-4-7-13-9-6-10-16-15(13)12-11-14(8-5-2)17(16)3/h13-16H,4-12H2,1-3H3
InChIKeyLHVVNWLATYDCIT-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,3aS,5aS,6R,9aR)-6-pentyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol
CID 101487400
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
CID 75163093
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
(2-propylcyclopentyl)silane
CID 123847285
1-pentyl-2-propylcyclopentane
CID 549948
(1R)-2-propylcyclohexan-1-ol
CID 144627240
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 91731891) is 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCCC1CCCC2C1CCC(CCC)N2C.
What is the InChIKey of 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is LHVVNWLATYDCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-7-13-9-6-10-16-15(13)12-11-14(8-5-2)17(16)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 237.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 91731891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).