(3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine

C13H19NO — CID 170005059

IUPAC(3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C\C(=C)N(C)CCOC(=C)C=C
InChIInChI=1S/C13H19NO/c1-6-8-9-12(3)14(5)10-11-15-13(4)7-2/h6-9H,1-4,10-11H2,5H3/b9-8-
InChIKeyGEDGQIVLBRMUTA-HJWRWDBZSA-N
MW205.30 g/mol
LogP2.89
Rot. Bonds8

About (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine

(3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine (PubChem CID 170005059) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine
PubChem CID170005059
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C\C(=C)N(C)CCOC(=C)C=C
InChIInChI=1S/C13H19NO/c1-6-8-9-12(3)14(5)10-11-15-13(4)7-2/h6-9H,1-4,10-11H2,5H3/b9-8-
InChIKeyGEDGQIVLBRMUTA-HJWRWDBZSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.89
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 (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine (CID 170005059) is (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine is C=C/C=C\C(=C)N(C)CCOC(=C)C=C.
What is the InChIKey of (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine?
The InChIKey is GEDGQIVLBRMUTA-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-8-9-12(3)14(5)10-11-15-13(4)7-2/h6-9H,1-4,10-11H2,5H3/b9-8-.
What are the key properties of (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine?
(3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-buta-1,3-dien-2-yloxyethyl)-N-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 170005059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).