(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine

C14H25NO — CID 170210538

IUPAC(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine
SMILESC/C=C\C/C(=C\C)OC(/C=C\C)N(C)CC
InChIInChI=1S/C14H25NO/c1-6-10-12-13(8-3)16-14(11-7-2)15(5)9-4/h6-8,10-11,14H,9,12H2,1-5H3/b10-6-,11-7-,13-8+
InChIKeyKAGQLYHTPMSOCW-XLFPVRRESA-N
MW223.36 g/mol
LogP3.73
Rot. Bonds7

About (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine

(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine (PubChem CID 170210538) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine
PubChem CID170210538
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine
SMILESC/C=C\C/C(=C\C)OC(/C=C\C)N(C)CC
InChIInChI=1S/C14H25NO/c1-6-10-12-13(8-3)16-14(11-7-2)15(5)9-4/h6-8,10-11,14H,9,12H2,1-5H3/b10-6-,11-7-,13-8+
InChIKeyKAGQLYHTPMSOCW-XLFPVRRESA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine (CID 170210538) is (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine is C/C=C\C/C(=C\C)OC(/C=C\C)N(C)CC.
What is the InChIKey of (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine?
The InChIKey is KAGQLYHTPMSOCW-XLFPVRRESA-N. The full InChI is InChI=1S/C14H25NO/c1-6-10-12-13(8-3)16-14(11-7-2)15(5)9-4/h6-8,10-11,14H,9,12H2,1-5H3/b10-6-,11-7-,13-8+.
What are the key properties of (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine?
(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine is sourced from PubChem (CID 170210538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).