(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine

C20H29N — CID 142137977

IUPAC(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine
SMILESC=C/C=C\C(=C/C)CCCC(N)CCCc1ccccc1
InChIInChI=1S/C20H29N/c1-3-5-11-18(4-2)14-9-16-20(21)17-10-15-19-12-7-6-8-13-19/h3-8,11-13,20H,1,9-10,14-17,21H2,2H3/b11-5-,18-4+
InChIKeyYEPUFTGBHCUIMN-HTMOVGKDSA-N
MW283.46 g/mol
LogP5.20
Rot. Bonds10

About (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine

(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine (PubChem CID 142137977) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine.

Molecular Properties

Compound Name(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine
PubChem CID142137977
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine
SMILESC=C/C=C\C(=C/C)CCCC(N)CCCc1ccccc1
InChIInChI=1S/C20H29N/c1-3-5-11-18(4-2)14-9-16-20(21)17-10-15-19-12-7-6-8-13-19/h3-8,11-13,20H,1,9-10,14-17,21H2,2H3/b11-5-,18-4+
InChIKeyYEPUFTGBHCUIMN-HTMOVGKDSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine?
The IUPAC name of (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine (CID 142137977) is (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine.
What is the SMILES notation for (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine?
The canonical SMILES for (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine is C=C/C=C\C(=C/C)CCCC(N)CCCc1ccccc1.
What is the InChIKey of (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine?
The InChIKey is YEPUFTGBHCUIMN-HTMOVGKDSA-N. The full InChI is InChI=1S/C20H29N/c1-3-5-11-18(4-2)14-9-16-20(21)17-10-15-19-12-7-6-8-13-19/h3-8,11-13,20H,1,9-10,14-17,21H2,2H3/b11-5-,18-4+.
What are the key properties of (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine?
(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine has a molecular weight of 283.46 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine is sourced from PubChem (CID 142137977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).