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

C12H26N2 — CID 142426466

IUPACethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine
SMILESCC.CN1CC(N)CC2CCCCC21
InChIInChI=1S/C10H20N2.C2H6/c1-12-7-9(11)6-8-4-2-3-5-10(8)12;1-2/h8-10H,2-7,11H2,1H3;1-2H3
InChIKeyGPICTJRMRZLZQN-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-3-amine

ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine (PubChem CID 142426466) 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-3-amine.

Molecular Properties

Compound Nameethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine
PubChem CID142426466
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-3-amine
SMILESCC.CN1CC(N)CC2CCCCC21
InChIInChI=1S/C10H20N2.C2H6/c1-12-7-9(11)6-8-4-2-3-5-10(8)12;1-2/h8-10H,2-7,11H2,1H3;1-2H3
InChIKeyGPICTJRMRZLZQN-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-3-amine with MolForge

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Related Compounds

Decahydroquinoline
CID 92911
Quinoline, decahydro-, (4aR,8aS)-rel-
CID 66078
rel-(4aR,8aR)-Decahydroquinoline
CID 66313
2-Methyldecahydroquinoline (mixture of isomers)
CID 524016
4-Methyl-decahydroquinoline
CID 524017
Quinoline, decahydro-, cis-
CID 6994355
2-(Decahydroisoquinolin-2-yl)ethan-1-amine
CID 5121507
6-Methyl-decahydroquinoline
CID 429040
(4aS,6S,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 231576
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
(4aS,8aR)-Decahydroquinoline
CID 6994352
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine?
The IUPAC name of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine (CID 142426466) is ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine.
What is the SMILES notation for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine?
The canonical SMILES for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine is CC.CN1CC(N)CC2CCCCC21.
What is the InChIKey of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine?
The InChIKey is GPICTJRMRZLZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-12-7-9(11)6-8-4-2-3-5-10(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-3-amine?
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-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-3-amine is sourced from PubChem (CID 142426466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).