ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine

C12H26N2 — CID 142426255

IUPACethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
SMILESCC.CN1CCC(N)C2CCCCC21
InChIInChI=1S/C10H20N2.C2H6/c1-12-7-6-9(11)8-4-2-3-5-10(8)12;1-2/h8-10H,2-7,11H2,1H3;1-2H3
InChIKeyKJUJSBOONCPJGS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds

About ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine

ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine (PubChem CID 142426255) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine.

Molecular Properties

Compound Nameethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
PubChem CID142426255
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine
SMILESCC.CN1CCC(N)C2CCCCC21
InChIInChI=1S/C10H20N2.C2H6/c1-12-7-6-9(11)8-4-2-3-5-10(8)12;1-2/h8-10H,2-7,11H2,1H3;1-2H3
InChIKeyKJUJSBOONCPJGS-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine with MolForge

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Related Compounds

(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol
CID 130891305
[2-(1-methylpiperidin-2-yl)cyclopropyl]methanamine
CID 130138227
1-methyl-2-(2-methylcyclooctyl)azocane
CID 90987666
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine
CID 82407463
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-1-amine
CID 142426553
N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
CID 6558760
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
ethane;1-methyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrole;octane
CID 143140739
1-methyl-2-[2-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 155794132

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine?
The IUPAC name of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine (CID 142426255) is ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine.
What is the SMILES notation for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine?
The canonical SMILES for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine is CC.CN1CCC(N)C2CCCCC21.
What is the InChIKey of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine?
The InChIKey is KJUJSBOONCPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-12-7-6-9(11)8-4-2-3-5-10(8)12;1-2/h8-10H,2-7,11H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine?
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-amine is sourced from PubChem (CID 142426255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).