4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine

C20H31NO — CID 123793791

IUPAC4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine
SMILESC=CC=CC(=C)C(=C)C=CC(=C)OC(C)CC(C)(C)N(C)C
InChIInChI=1S/C20H31NO/c1-10-11-12-16(2)17(3)13-14-18(4)22-19(5)15-20(6,7)21(8)9/h10-14,19H,1-4,15H2,5-9H3
InChIKeyDXVXYZRSEJBDRY-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.05
Rot. Bonds10

About 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine

4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine (PubChem CID 123793791) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine.

Molecular Properties

Compound Name4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine
PubChem CID123793791
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine
SMILESC=CC=CC(=C)C(=C)C=CC(=C)OC(C)CC(C)(C)N(C)C
InChIInChI=1S/C20H31NO/c1-10-11-12-16(2)17(3)13-14-18(4)22-19(5)15-20(6,7)21(8)9/h10-14,19H,1-4,15H2,5-9H3
InChIKeyDXVXYZRSEJBDRY-UHFFFAOYSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine?
The IUPAC name of 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine (CID 123793791) is 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine.
What is the SMILES notation for 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine?
The canonical SMILES for 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine is C=CC=CC(=C)C(=C)C=CC(=C)OC(C)CC(C)(C)N(C)C.
What is the InChIKey of 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine?
The InChIKey is DXVXYZRSEJBDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-10-11-12-16(2)17(3)13-14-18(4)22-19(5)15-20(6,7)21(8)9/h10-14,19H,1-4,15H2,5-9H3.
What are the key properties of 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine?
4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine has a molecular weight of 301.47 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine is sourced from PubChem (CID 123793791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).