1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine

C11H19N — CID 143341086

IUPAC1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine
SMILES[H]/N=C1\CCC2CCCCCCC12
InChIInChI=1S/C11H19N/c12-11-8-7-9-5-3-1-2-4-6-10(9)11/h9-10,12H,1-8H2/b12-11+
InChIKeyMXNTWEOJAODKPO-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.39
Rot. Bonds

About 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine

1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine (PubChem CID 143341086) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine.

Molecular Properties

Compound Name1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine
PubChem CID143341086
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine
SMILES[H]/N=C1\CCC2CCCCCCC12
InChIInChI=1S/C11H19N/c12-11-8-7-9-5-3-1-2-4-6-10(9)11/h9-10,12H,1-8H2/b12-11+
InChIKeyMXNTWEOJAODKPO-VAWYXSNFSA-N
XLogP3.39
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
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CID 36691423
8-cyclooctyl-2-diazenylcyclooctene-1-diazonium
CID 56614195
N-(2-cyclohexylcyclohexylidene)hydroxylamine
CID 73167271
1-cycloheptyl-2-propan-2-ylidenecycloheptane
CID 21463896
2-iminocyclopentan-1-ol
CID 131743641
(3aS,9aR)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dithiol-2-imine
CID 92523978
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CID 58427678
cyclononylcycloicosane
CID 123187062

Frequently Asked Questions

What is the IUPAC name of 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine?
The IUPAC name of 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine (CID 143341086) is 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine.
What is the SMILES notation for 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine?
The canonical SMILES for 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine is [H]/N=C1\CCC2CCCCCCC12.
What is the InChIKey of 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine?
The InChIKey is MXNTWEOJAODKPO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c12-11-8-7-9-5-3-1-2-4-6-10(9)11/h9-10,12H,1-8H2/b12-11+.
What are the key properties of 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine?
1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine is sourced from PubChem (CID 143341086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).