N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine

C16H19N — CID 123250682

IUPACN-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine
SMILESC1=CC=C(/N=C2/CC=CC=CCC2)CCC=C1
InChIInChI=1S/C16H19N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h1-7,9,11H,8,10,12-14H2/b4-1?,6-2?,7-3?,9-5?,15-11?,17-16-
InChIKeyITVIYKNQIFTMMJ-VEVOOVBDSA-N
MW225.34 g/mol
LogP4.51
Rot. Bonds1

About N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine

N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine (PubChem CID 123250682) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine.

Molecular Properties

Compound NameN-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine
PubChem CID123250682
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC NameN-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine
SMILESC1=CC=C(/N=C2/CC=CC=CCC2)CCC=C1
InChIInChI=1S/C16H19N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h1-7,9,11H,8,10,12-14H2/b4-1?,6-2?,7-3?,9-5?,15-11?,17-16-
InChIKeyITVIYKNQIFTMMJ-VEVOOVBDSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine
CID 87249940
(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine
CID 67050806
N-methylcyclohex-3-en-1-imine
CID 56975694
N-ethylcyclohex-3-en-1-imine
CID 123229334
[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]-triethoxysilane
CID 153307550
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
cyclohexa-1,3-diene;platinum
CID 160525491
(1Z,3Z,5E,7Z)-cyclodeca-1,3,5,7-tetraene
CID 102481201
(3Z,5E,7E,9E,11Z,13E,15E,17Z)-cycloicosa-1,3,5,7,9,11,13,15,17-nonaene
CID 173020725
CID 68982251
CID 68982251
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
CID 174151682
[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 174151684

Frequently Asked Questions

What is the IUPAC name of N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine?
The IUPAC name of N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine (CID 123250682) is N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine.
What is the SMILES notation for N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine?
The canonical SMILES for N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine is C1=CC=C(/N=C2/CC=CC=CCC2)CCC=C1.
What is the InChIKey of N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine?
The InChIKey is ITVIYKNQIFTMMJ-VEVOOVBDSA-N. The full InChI is InChI=1S/C16H19N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h1-7,9,11H,8,10,12-14H2/b4-1?,6-2?,7-3?,9-5?,15-11?,17-16-.
What are the key properties of N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine?
N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine has a molecular weight of 225.34 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine is sourced from PubChem (CID 123250682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).