(Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine

C19H33N — CID 143978450

IUPAC(Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine
SMILESC/C=C\CCCC(CC(CC)CCN)C1C=CC=CC1
InChIInChI=1S/C19H33N/c1-3-5-6-8-13-19(16-17(4-2)14-15-20)18-11-9-7-10-12-18/h3,5,7,9-11,17-19H,4,6,8,12-16,20H2,1-2H3/b5-3-
InChIKeyGLNWLNIAUFYOQY-HYXAFXHYSA-N
MW275.48 g/mol
LogP5.25
Rot. Bonds10

About (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine

(Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine (PubChem CID 143978450) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine
PubChem CID143978450
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine
SMILESC/C=C\CCCC(CC(CC)CCN)C1C=CC=CC1
InChIInChI=1S/C19H33N/c1-3-5-6-8-13-19(16-17(4-2)14-15-20)18-11-9-7-10-12-18/h3,5,7,9-11,17-19H,4,6,8,12-16,20H2,1-2H3/b5-3-
InChIKeyGLNWLNIAUFYOQY-HYXAFXHYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
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 (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine?
The IUPAC name of (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine (CID 143978450) is (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine.
What is the SMILES notation for (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine?
The canonical SMILES for (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine is C/C=C\CCCC(CC(CC)CCN)C1C=CC=CC1.
What is the InChIKey of (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine?
The InChIKey is GLNWLNIAUFYOQY-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-6-8-13-19(16-17(4-2)14-15-20)18-11-9-7-10-12-18/h3,5,7,9-11,17-19H,4,6,8,12-16,20H2,1-2H3/b5-3-.
What are the key properties of (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine?
(Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-cyclohexa-2,4-dien-1-yl-3-ethylundec-9-en-1-amine is sourced from PubChem (CID 143978450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).