(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine

C9H18N2O — CID 89043467

IUPAC(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine
SMILESC=C/C=C\C(N)CCOCCN
InChIInChI=1S/C9H18N2O/c1-2-3-4-9(11)5-7-12-8-6-10/h2-4,9H,1,5-8,10-11H2/b4-3-
InChIKeyXNJMOLOQNPBZKW-ARJAWSKDSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds7

About (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine

(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine (PubChem CID 89043467) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine
PubChem CID89043467
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine
SMILESC=C/C=C\C(N)CCOCCN
InChIInChI=1S/C9H18N2O/c1-2-3-4-9(11)5-7-12-8-6-10/h2-4,9H,1,5-8,10-11H2/b4-3-
InChIKeyXNJMOLOQNPBZKW-ARJAWSKDSA-N
XLogP0.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine?
The IUPAC name of (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine (CID 89043467) is (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine.
What is the SMILES notation for (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine?
The canonical SMILES for (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine is C=C/C=C\C(N)CCOCCN.
What is the InChIKey of (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine?
The InChIKey is XNJMOLOQNPBZKW-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-9(11)5-7-12-8-6-10/h2-4,9H,1,5-8,10-11H2/b4-3-.
What are the key properties of (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine?
(4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(2-aminoethoxy)hepta-4,6-dien-3-amine is sourced from PubChem (CID 89043467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).