4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine

C13H23NO — CID 123491650

IUPAC4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
SMILESC=C(C=CC)N(C)CCC(C)=C(C)OC
InChIInChI=1S/C13H23NO/c1-7-8-12(3)14(5)10-9-11(2)13(4)15-6/h7-8H,3,9-10H2,1-2,4-6H3
InChIKeyLONQZLIJADJMQH-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.34
Rot. Bonds6

About 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine

4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine (PubChem CID 123491650) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
PubChem CID123491650
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
SMILESC=C(C=CC)N(C)CCC(C)=C(C)OC
InChIInChI=1S/C13H23NO/c1-7-8-12(3)14(5)10-9-11(2)13(4)15-6/h7-8H,3,9-10H2,1-2,4-6H3
InChIKeyLONQZLIJADJMQH-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.34
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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Related Compounds

6-methoxy-1-propyl-5H-quinoline
CID 88676642
N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
CID 135276508
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 142144047
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
CID 143406798
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
CID 143911361
(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine
CID 143921330
(5Z)-4-[(1E)-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-5-pentylidene-2H-pyrrole
CID 143989148
(3Z)-3-ethyl-N-(2-methoxyethyl)-N-methylhexa-1,3,5-trien-2-amine
CID 144140004

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine (CID 123491650) is 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine is C=C(C=CC)N(C)CCC(C)=C(C)OC.
What is the InChIKey of 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine?
The InChIKey is LONQZLIJADJMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-8-12(3)14(5)10-9-11(2)13(4)15-6/h7-8H,3,9-10H2,1-2,4-6H3.
What are the key properties of 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine?
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine is sourced from PubChem (CID 123491650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).