N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine

C16H25N — CID 118616768

IUPACN-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine
SMILESC=CC(C)C(/N=C/C)C(CC)C1=CCCC=C1
InChIInChI=1S/C16H25N/c1-5-13(4)16(17-7-3)15(6-2)14-11-9-8-10-12-14/h5,7,9,11-13,15-16H,1,6,8,10H2,2-4H3/b17-7+
InChIKeyQRDZHBALBPQSCY-REZTVBANSA-N
MW231.38 g/mol
LogP4.57
Rot. Bonds6

About N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine

N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine (PubChem CID 118616768) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine.

Molecular Properties

Compound NameN-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine
PubChem CID118616768
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine
SMILESC=CC(C)C(/N=C/C)C(CC)C1=CCCC=C1
InChIInChI=1S/C16H25N/c1-5-13(4)16(17-7-3)15(6-2)14-11-9-8-10-12-14/h5,7,9,11-13,15-16H,1,6,8,10H2,2-4H3/b17-7+
InChIKeyQRDZHBALBPQSCY-REZTVBANSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine?
The IUPAC name of N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine (CID 118616768) is N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine.
What is the SMILES notation for N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine?
The canonical SMILES for N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine is C=CC(C)C(/N=C/C)C(CC)C1=CCCC=C1.
What is the InChIKey of N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine?
The InChIKey is QRDZHBALBPQSCY-REZTVBANSA-N. The full InChI is InChI=1S/C16H25N/c1-5-13(4)16(17-7-3)15(6-2)14-11-9-8-10-12-14/h5,7,9,11-13,15-16H,1,6,8,10H2,2-4H3/b17-7+.
What are the key properties of N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine?
N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine has a molecular weight of 231.38 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine is sourced from PubChem (CID 118616768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).