1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine

C15H23N — CID 123690866

IUPAC1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine
SMILES[H]/N=C(\C)C1=C(CC)CC2C=C(CC)CC1C2
InChIInChI=1S/C15H23N/c1-4-11-6-12-8-13(5-2)15(10(3)16)14(7-11)9-12/h6,12,14,16H,4-5,7-9H2,1-3H3/b16-10+
InChIKeyFKXUHDHJXVLXDJ-MHWRWJLKSA-N
MW217.36 g/mol
LogP4.50
Rot. Bonds3

About 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine

1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine (PubChem CID 123690866) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine.

Molecular Properties

Compound Name1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine
PubChem CID123690866
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine
SMILES[H]/N=C(\C)C1=C(CC)CC2C=C(CC)CC1C2
InChIInChI=1S/C15H23N/c1-4-11-6-12-8-13(5-2)15(10(3)16)14(7-11)9-12/h6,12,14,16H,4-5,7-9H2,1-3H3/b16-10+
InChIKeyFKXUHDHJXVLXDJ-MHWRWJLKSA-N
XLogP4.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine?
The IUPAC name of 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine (CID 123690866) is 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine.
What is the SMILES notation for 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine?
The canonical SMILES for 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine is [H]/N=C(\C)C1=C(CC)CC2C=C(CC)CC1C2.
What is the InChIKey of 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine?
The InChIKey is FKXUHDHJXVLXDJ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H23N/c1-4-11-6-12-8-13(5-2)15(10(3)16)14(7-11)9-12/h6,12,14,16H,4-5,7-9H2,1-3H3/b16-10+.
What are the key properties of 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine?
1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine has a molecular weight of 217.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine is sourced from PubChem (CID 123690866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).