N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline

C17H21N — CID 163940531

IUPACN-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
SMILESC=CCCCN(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h2,4,6-8,11-14H,1,3,5,9-10,15H2
InChIKeyRQPHCYGOSOZVSC-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.69
Rot. Bonds6

About N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline

N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline (PubChem CID 163940531) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
PubChem CID163940531
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline
SMILESC=CCCCN(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h2,4,6-8,11-14H,1,3,5,9-10,15H2
InChIKeyRQPHCYGOSOZVSC-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline (CID 163940531) is N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline is C=CCCCN(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
The InChIKey is RQPHCYGOSOZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-3-10-15-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h2,4,6-8,11-14H,1,3,5,9-10,15H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline?
N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-pent-4-enylaniline is sourced from PubChem (CID 163940531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).