N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine

C15H21NO — CID 143063008

IUPACN-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine
SMILESC#C/C=C\C(=C/C)COC/C(C)=N/C(C)=C\C
InChIInChI=1S/C15H21NO/c1-6-9-10-15(8-3)12-17-11-14(5)16-13(4)7-2/h1,7-10H,11-12H2,2-5H3/b10-9-,13-7-,15-8+,16-14+
InChIKeyHXAPSFJYGKOZHP-GPGSIUABSA-N
MW231.34 g/mol
LogP3.52
Rot. Bonds6

About N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine

N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine (PubChem CID 143063008) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine
PubChem CID143063008
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine
SMILESC#C/C=C\C(=C/C)COC/C(C)=N/C(C)=C\C
InChIInChI=1S/C15H21NO/c1-6-9-10-15(8-3)12-17-11-14(5)16-13(4)7-2/h1,7-10H,11-12H2,2-5H3/b10-9-,13-7-,15-8+,16-14+
InChIKeyHXAPSFJYGKOZHP-GPGSIUABSA-N
XLogP3.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-ethylidenehex-3-en-5-ynoxy)ethyl]-1-methylcyclohexane
CID 123557333
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne
CID 143197303
(2R,3S)-2-(carboxymethyl)-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]carbonyl-3-methylazetidine-2-carboxylic acid
CID 155257616
(2E,4Z)-3-(2-bromoethoxymethyl)hexa-2,4-diene
CID 145079816
ethyl (Z)-pent-2-en-4-ynoate
CID 10887897
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
1-[(Z,2E)-2-ethylidenehex-3-en-5-ynyl]-3a,4-dihydrobenzimidazole
CID 134239381
(E)-hex-3-en-1-yne
CID 5367402
(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
CID 130238736
acetylene;1-[(Z,2E)-2-ethylidenepent-3-enoxy]pentan-2-ol
CID 143642417
(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
CID 130282853

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine (CID 143063008) is N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine is C#C/C=C\C(=C/C)COC/C(C)=N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine?
The InChIKey is HXAPSFJYGKOZHP-GPGSIUABSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-9-10-15(8-3)12-17-11-14(5)16-13(4)7-2/h1,7-10H,11-12H2,2-5H3/b10-9-,13-7-,15-8+,16-14+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine?
N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine has a molecular weight of 231.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine is sourced from PubChem (CID 143063008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).