(1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine

C7H15N3O — CID 134555736

IUPAC(1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)OCCN
InChIInChI=1S/C7H15N3O/c1-6(9)2-3-7(10)11-5-4-8/h2-3H,4-5,8-10H2,1H3/b6-2-,7-3+
InChIKeyHVIXIPZQCAKNCE-MFDSWNTHSA-N
MW157.22 g/mol
LogP-0.38
Rot. Bonds4

About (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine (PubChem CID 134555736) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine
PubChem CID134555736
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)OCCN
InChIInChI=1S/C7H15N3O/c1-6(9)2-3-7(10)11-5-4-8/h2-3H,4-5,8-10H2,1H3/b6-2-,7-3+
InChIKeyHVIXIPZQCAKNCE-MFDSWNTHSA-N
XLogP-0.38
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(2-aminoethoxy)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine (CID 134555736) is (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)OCCN.
What is the InChIKey of (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine?
The InChIKey is HVIXIPZQCAKNCE-MFDSWNTHSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(9)2-3-7(10)11-5-4-8/h2-3H,4-5,8-10H2,1H3/b6-2-,7-3+.
What are the key properties of (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine has a molecular weight of 157.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(2-aminoethoxy)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134555736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).