ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine

C26H56N2 — CID 142426443

IUPACethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine
SMILESCC.CC.CCC1C(C)CCCC1N(C)C.CCC1CCNC2CCCCC12
InChIInChI=1S/C11H21N.C11H23N.2C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-5-10-9(2)7-6-8-11(10)12(3)4;2*1-2/h9-12H,2-8H2,1H3;9-11H,5-8H2,1-4H3;2*1-2H3
InChIKeyLJBFMZALPSQJDN-UHFFFAOYSA-N
MW396.75 g/mol
LogP7.38
Rot. Bonds3

About ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine

ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 142426443) has the molecular formula C26H56N2 and a molecular weight of 396.75 g/mol. Its IUPAC name is ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine
PubChem CID142426443
Molecular FormulaC26H56N2
Molecular Weight396.75 g/mol
Exact Mass396.44
IUPAC Nameethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine
SMILESCC.CC.CCC1C(C)CCCC1N(C)C.CCC1CCNC2CCCCC12
InChIInChI=1S/C11H21N.C11H23N.2C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-5-10-9(2)7-6-8-11(10)12(3)4;2*1-2/h9-12H,2-8H2,1H3;9-11H,5-8H2,1-4H3;2*1-2H3
InChIKeyLJBFMZALPSQJDN-UHFFFAOYSA-N
XLogP7.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

4-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 171521770
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 524017
ethane;1-(2-ethyl-3-methylcyclohexyl)-1-methyl-2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl)hydrazine
CID 142426509
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
N-[(2-methylcyclopentyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 107416966
2-ethyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79541673
ethane;(2-ethyl-3-methylcyclohexyl)methanamine
CID 176567234
N,N,2-trimethylcyclopentan-1-amine
CID 23553747
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
3-ethyl-2-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79544598

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine (CID 142426443) is ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine is CC.CC.CCC1C(C)CCCC1N(C)C.CCC1CCNC2CCCCC12.
What is the InChIKey of ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is LJBFMZALPSQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C11H23N.2C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-5-10-9(2)7-6-8-11(10)12(3)4;2*1-2/h9-12H,2-8H2,1H3;9-11H,5-8H2,1-4H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine?
ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 396.75 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;2-ethyl-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 142426443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).