N-(cycloocten-1-yl)cyclooctanimine

C16H27N — CID 123804858

IUPACN-(cycloocten-1-yl)cyclooctanimine
SMILESC1=C(N=C2CCCCCCC2)CCCCCC1
InChIInChI=1S/C16H27N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h11H,1-10,12-14H2
InChIKeyOGVSEGFCGNOACT-UHFFFAOYSA-N
MW233.40 g/mol
LogP5.41
Rot. Bonds1

About N-(cycloocten-1-yl)cyclooctanimine

N-(cycloocten-1-yl)cyclooctanimine (PubChem CID 123804858) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(cycloocten-1-yl)cyclooctanimine.

Molecular Properties

Compound NameN-(cycloocten-1-yl)cyclooctanimine
PubChem CID123804858
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(cycloocten-1-yl)cyclooctanimine
SMILESC1=C(N=C2CCCCCCC2)CCCCCC1
InChIInChI=1S/C16H27N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h11H,1-10,12-14H2
InChIKeyOGVSEGFCGNOACT-UHFFFAOYSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(cycloocten-1-yl)cyclooctanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclodecen-1-yl)cyclodecanimine
CID 57204694
N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine
CID 123250682
N-cycloocta-1,3-dien-1-ylcyclooct-3-en-1-imine
CID 123469361
N-[(E)-heptadec-2-en-2-yl]butan-2-imine
CID 123729576

Frequently Asked Questions

What is the IUPAC name of N-(cycloocten-1-yl)cyclooctanimine?
The IUPAC name of N-(cycloocten-1-yl)cyclooctanimine (CID 123804858) is N-(cycloocten-1-yl)cyclooctanimine.
What is the SMILES notation for N-(cycloocten-1-yl)cyclooctanimine?
The canonical SMILES for N-(cycloocten-1-yl)cyclooctanimine is C1=C(N=C2CCCCCCC2)CCCCCC1.
What is the InChIKey of N-(cycloocten-1-yl)cyclooctanimine?
The InChIKey is OGVSEGFCGNOACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h11H,1-10,12-14H2.
What are the key properties of N-(cycloocten-1-yl)cyclooctanimine?
N-(cycloocten-1-yl)cyclooctanimine has a molecular weight of 233.40 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloocten-1-yl)cyclooctanimine is sourced from PubChem (CID 123804858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).