1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane

C11H23N — CID 142260650

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
SMILESC1CCC2CNCCC2C1.CC
InChIInChI=1S/C9H17N.C2H6/c1-2-4-9-7-10-6-5-8(9)3-1;1-2/h8-10H,1-7H2;1-2H3
InChIKeySYYMYSGLZGARAV-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane (PubChem CID 142260650) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
PubChem CID142260650
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
SMILESC1CCC2CNCCC2C1.CC
InChIInChI=1S/C9H17N.C2H6/c1-2-4-9-7-10-6-5-8(9)3-1;1-2/h8-10H,1-7H2;1-2H3
InChIKeySYYMYSGLZGARAV-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;azepane;ethane;propane
CID 143167728
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid
CID 143297207
(3S)-3-cyclohexylpiperidine
CID 7016473
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
CID 143297123
3-cyclohexylpyrrolidine;methanethioamide
CID 161183886
CID 172701380
CID 172701380

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane (CID 142260650) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane is C1CCC2CNCCC2C1.CC.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane?
The InChIKey is SYYMYSGLZGARAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-2-4-9-7-10-6-5-8(9)3-1;1-2/h8-10H,1-7H2;1-2H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane has a molecular weight of 169.31 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane is sourced from PubChem (CID 142260650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).