(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine

C11H23N3O — CID 134406440

IUPAC(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine
SMILESCCNCCC(C)O/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H23N3O/c1-4-14-8-7-10(3)15-11(13)6-5-9(2)12/h5-6,10,14H,4,7-8,12-13H2,1-3H3/b9-5-,11-6+
InChIKeyFWQGFXQYMMHANS-YCQMDOFOSA-N
MW213.32 g/mol
LogP1.05
Rot. Bonds7

About (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine

(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine (PubChem CID 134406440) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine
PubChem CID134406440
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine
SMILESCCNCCC(C)O/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H23N3O/c1-4-14-8-7-10(3)15-11(13)6-5-9(2)12/h5-6,10,14H,4,7-8,12-13H2,1-3H3/b9-5-,11-6+
InChIKeyFWQGFXQYMMHANS-YCQMDOFOSA-N
XLogP1.05
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine (CID 134406440) is (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine is CCNCCC(C)O/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine?
The InChIKey is FWQGFXQYMMHANS-YCQMDOFOSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-14-8-7-10(3)15-11(13)6-5-9(2)12/h5-6,10,14H,4,7-8,12-13H2,1-3H3/b9-5-,11-6+.
What are the key properties of (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine has a molecular weight of 213.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[4-(ethylamino)butan-2-yloxy]penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).