1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine

C16H26N2 — CID 170765918

IUPAC1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine
SMILESC=C(/N=C(\C)C1CC2CC1CN2)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-11(13-6-4-3-5-7-13)18-12(2)16-9-15-8-14(16)10-17-15/h13-17H,1,3-10H2,2H3/b18-12+
InChIKeyKOZDMWLDPFZJLY-LDADJPATSA-N
MW246.40 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine

1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine (PubChem CID 170765918) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine
PubChem CID170765918
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine
SMILESC=C(/N=C(\C)C1CC2CC1CN2)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-11(13-6-4-3-5-7-13)18-12(2)16-9-15-8-14(16)10-17-15/h13-17H,1,3-10H2,2H3/b18-12+
InChIKeyKOZDMWLDPFZJLY-LDADJPATSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 162422519
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
methyl (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carboxylate
CID 121227040
N-(1-cyclohexylethenyl)methanimine
CID 123927347
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
3-prop-1-en-2-ylcyclododecan-1-ol
CID 24977822
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
cycloundecanecarbonyl(methyl)azanide;rhenium
CID 163449184
3-cycloheptylbut-3-en-2-one
CID 89298761
1-cyclohexylethanethione
CID 13294348
(1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carbonitrile
CID 98092349

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine (CID 170765918) is 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine is C=C(/N=C(\C)C1CC2CC1CN2)C1CCCCC1.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine?
The InChIKey is KOZDMWLDPFZJLY-LDADJPATSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(13-6-4-3-5-7-13)18-12(2)16-9-15-8-14(16)10-17-15/h13-17H,1,3-10H2,2H3/b18-12+.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine?
1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine has a molecular weight of 246.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-5-yl)-N-(1-cyclohexylethenyl)ethanimine is sourced from PubChem (CID 170765918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).