ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline

C15H25N — CID 170597916

IUPACethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
SMILESCC.CC(C)CN1CCCc2ccccc21
InChIInChI=1S/C13H19N.C2H6/c1-11(2)10-14-9-5-7-12-6-3-4-8-13(12)14;1-2/h3-4,6,8,11H,5,7,9-10H2,1-2H3;1-2H3
InChIKeyHQTBBBKHGSPROA-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.12
Rot. Bonds2

About ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline

ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline (PubChem CID 170597916) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
PubChem CID170597916
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
SMILESCC.CC(C)CN1CCCc2ccccc21
InChIInChI=1S/C13H19N.C2H6/c1-11(2)10-14-9-5-7-12-6-3-4-8-13(12)14;1-2/h3-4,6,8,11H,5,7,9-10H2,1-2H3;1-2H3
InChIKeyHQTBBBKHGSPROA-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline
CID 65000659
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
CID 24035
1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63101229
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
CID 62476969
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
N'-hydroxy-2-methyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069826

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline (CID 170597916) is ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline is CC.CC(C)CN1CCCc2ccccc21.
What is the InChIKey of ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline?
The InChIKey is HQTBBBKHGSPROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-11(2)10-14-9-5-7-12-6-3-4-8-13(12)14;1-2/h3-4,6,8,11H,5,7,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline?
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline has a molecular weight of 219.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 170597916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).