(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine

C10H17NO — CID 144851941

IUPAC(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C)NCCOCC
InChIInChI=1S/C10H17NO/c1-4-7-10(5-2)11-8-9-12-6-3/h4-5,7,11H,1-2,6,8-9H2,3H3/b10-7+
InChIKeyUQEAGEIGWMMLAN-JXMROGBWSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds7

About (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine

(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine (PubChem CID 144851941) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine
PubChem CID144851941
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C)NCCOCC
InChIInChI=1S/C10H17NO/c1-4-7-10(5-2)11-8-9-12-6-3/h4-5,7,11H,1-2,6,8-9H2,3H3/b10-7+
InChIKeyUQEAGEIGWMMLAN-JXMROGBWSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine (CID 144851941) is (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine is C=C/C=C(\C=C)NCCOCC.
What is the InChIKey of (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine?
The InChIKey is UQEAGEIGWMMLAN-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-10(5-2)11-8-9-12-6-3/h4-5,7,11H,1-2,6,8-9H2,3H3/b10-7+.
What are the key properties of (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine?
(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine has a molecular weight of 167.25 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144851941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).