(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane

C16H29N — CID 142404527

IUPAC(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
SMILESCC.CC1CCCCC/C=C2/CCC/C2=C/1N
InChIInChI=1S/C14H23N.C2H6/c1-11-7-4-2-3-5-8-12-9-6-10-13(12)14(11)15;1-2/h8,11H,2-7,9-10,15H2,1H3;1-2H3/b12-8-,14-13+;
InChIKeyYCRIRVMKPCSQNT-NHAPUDJTSA-N
MW235.41 g/mol
LogP4.94
Rot. Bonds

About (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane

(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane (PubChem CID 142404527) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane.

Molecular Properties

Compound Name(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
PubChem CID142404527
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
SMILESCC.CC1CCCCC/C=C2/CCC/C2=C/1N
InChIInChI=1S/C14H23N.C2H6/c1-11-7-4-2-3-5-8-12-9-6-10-13(12)14(11)15;1-2/h8,11H,2-7,9-10,15H2,1H3;1-2H3/b12-8-,14-13+;
InChIKeyYCRIRVMKPCSQNT-NHAPUDJTSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane with MolForge

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Related Compounds

1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene
CID 174620959
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1,7-dimethylcycloheptene
CID 13493194
(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid
CID 22639875
CID 67945351
CID 67945351
2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 19099788
4-(cyclohepten-1-yl)-6,7,8,8a-tetrahydro-5H-cyclohepta[c]furan-1,3-dione
CID 54481055
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide
CID 162515107
[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-trimethylsilane
CID 67342185
ethane;methane;1-methyl-1,2,3,3a,4,5,6,7-octahydroazulene
CID 143696880

Frequently Asked Questions

What is the IUPAC name of (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane?
The IUPAC name of (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane (CID 142404527) is (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane.
What is the SMILES notation for (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane?
The canonical SMILES for (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane is CC.CC1CCCCC/C=C2/CCC/C2=C/1N.
What is the InChIKey of (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane?
The InChIKey is YCRIRVMKPCSQNT-NHAPUDJTSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-11-7-4-2-3-5-8-12-9-6-10-13(12)14(11)15;1-2/h8,11H,2-7,9-10,15H2,1H3;1-2H3/b12-8-,14-13+;.
What are the key properties of (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane?
(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane has a molecular weight of 235.41 g/mol, XLogP of 4.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane is sourced from PubChem (CID 142404527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).