(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene

C15H27NO — CID 142024225

IUPAC(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene
SMILESC=CCC/C=C/NCC.C=CCCO/C=C/C
InChIInChI=1S/C8H15N.C7H12O/c1-3-5-6-7-8-9-4-2;1-3-5-7-8-6-4-2/h3,7-9H,1,4-6H2,2H3;3-4,6H,1,5,7H2,2H3/b8-7+;6-4+
InChIKeyQKHSEKIEEIQGAR-BOBIWSMLSA-N
MW237.39 g/mol
LogP4.19
Rot. Bonds9

About (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene

(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene (PubChem CID 142024225) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene.

Molecular Properties

Compound Name(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene
PubChem CID142024225
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene
SMILESC=CCC/C=C/NCC.C=CCCO/C=C/C
InChIInChI=1S/C8H15N.C7H12O/c1-3-5-6-7-8-9-4-2;1-3-5-7-8-6-4-2/h3,7-9H,1,4-6H2,2H3;3-4,6H,1,5,7H2,2H3/b8-7+;6-4+
InChIKeyQKHSEKIEEIQGAR-BOBIWSMLSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene?
The IUPAC name of (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene (CID 142024225) is (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene.
What is the SMILES notation for (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene?
The canonical SMILES for (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene is C=CCC/C=C/NCC.C=CCCO/C=C/C.
What is the InChIKey of (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene?
The InChIKey is QKHSEKIEEIQGAR-BOBIWSMLSA-N. The full InChI is InChI=1S/C8H15N.C7H12O/c1-3-5-6-7-8-9-4-2;1-3-5-7-8-6-4-2/h3,7-9H,1,4-6H2,2H3;3-4,6H,1,5,7H2,2H3/b8-7+;6-4+.
What are the key properties of (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene?
(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene has a molecular weight of 237.39 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene is sourced from PubChem (CID 142024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).