(2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine

C17H31NO2 — CID 167079867

IUPAC(2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine
SMILESC/C=C(\CC/C=C\C(=C/CC)CNCCOCC)OC
InChIInChI=1S/C17H31NO2/c1-5-10-16(15-18-13-14-20-7-3)11-8-9-12-17(6-2)19-4/h6,8,10-11,18H,5,7,9,12-15H2,1-4H3/b11-8-,16-10+,17-6+
InChIKeyBXWGZMHLJMUXRF-ZHRQAIGDSA-N
MW281.44 g/mol
LogP3.84
Rot. Bonds12

About (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine

(2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine (PubChem CID 167079867) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine
PubChem CID167079867
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine
SMILESC/C=C(\CC/C=C\C(=C/CC)CNCCOCC)OC
InChIInChI=1S/C17H31NO2/c1-5-10-16(15-18-13-14-20-7-3)11-8-9-12-17(6-2)19-4/h6,8,10-11,18H,5,7,9,12-15H2,1-4H3/b11-8-,16-10+,17-6+
InChIKeyBXWGZMHLJMUXRF-ZHRQAIGDSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine?
The IUPAC name of (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine (CID 167079867) is (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine.
What is the SMILES notation for (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine?
The canonical SMILES for (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine is C/C=C(\CC/C=C\C(=C/CC)CNCCOCC)OC.
What is the InChIKey of (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine?
The InChIKey is BXWGZMHLJMUXRF-ZHRQAIGDSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-10-16(15-18-13-14-20-7-3)11-8-9-12-17(6-2)19-4/h6,8,10-11,18H,5,7,9,12-15H2,1-4H3/b11-8-,16-10+,17-6+.
What are the key properties of (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine?
(2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,7E)-N-(2-ethoxyethyl)-7-methoxy-2-propylidenenona-3,7-dien-1-amine is sourced from PubChem (CID 167079867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).