(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine

C20H29NO — CID 142197561

IUPAC(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\CC)CNCc1cc(OC(C)C)cc(C(=C)C)c1
InChIInChI=1S/C20H29NO/c1-7-9-17(8-2)13-21-14-18-10-19(15(3)4)12-20(11-18)22-16(5)6/h7,9-12,16,21H,1,3,8,13-14H2,2,4-6H3/b17-9+
InChIKeyFJVLZFKBCCYKHK-RQZCQDPDSA-N
MW299.46 g/mol
LogP5.12
Rot. Bonds9

About (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine

(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine (PubChem CID 142197561) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine
PubChem CID142197561
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\CC)CNCc1cc(OC(C)C)cc(C(=C)C)c1
InChIInChI=1S/C20H29NO/c1-7-9-17(8-2)13-21-14-18-10-19(15(3)4)12-20(11-18)22-16(5)6/h7,9-12,16,21H,1,3,8,13-14H2,2,4-6H3/b17-9+
InChIKeyFJVLZFKBCCYKHK-RQZCQDPDSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine (CID 142197561) is (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine is C=C/C=C(\CC)CNCc1cc(OC(C)C)cc(C(=C)C)c1.
What is the InChIKey of (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?
The InChIKey is FJVLZFKBCCYKHK-RQZCQDPDSA-N. The full InChI is InChI=1S/C20H29NO/c1-7-9-17(8-2)13-21-14-18-10-19(15(3)4)12-20(11-18)22-16(5)6/h7,9-12,16,21H,1,3,8,13-14H2,2,4-6H3/b17-9+.
What are the key properties of (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?
(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine has a molecular weight of 299.46 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 142197561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).