(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine

C12H24N2O — CID 87792206

IUPAC(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine
SMILESCCCC(N)/C=C/O/C=C/C(N)CCC
InChIInChI=1S/C12H24N2O/c1-3-5-11(13)7-9-15-10-8-12(14)6-4-2/h7-12H,3-6,13-14H2,1-2H3/b9-7+,10-8+
InChIKeyNXUQSIWRJNJWQZ-FIFLTTCUSA-N
MW212.34 g/mol
LogP2.29
Rot. Bonds8

About (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine

(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine (PubChem CID 87792206) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine.

Molecular Properties

Compound Name(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine
PubChem CID87792206
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine
SMILESCCCC(N)/C=C/O/C=C/C(N)CCC
InChIInChI=1S/C12H24N2O/c1-3-5-11(13)7-9-15-10-8-12(14)6-4-2/h7-12H,3-6,13-14H2,1-2H3/b9-7+,10-8+
InChIKeyNXUQSIWRJNJWQZ-FIFLTTCUSA-N
XLogP2.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine?
The IUPAC name of (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine (CID 87792206) is (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine.
What is the SMILES notation for (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine?
The canonical SMILES for (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine is CCCC(N)/C=C/O/C=C/C(N)CCC.
What is the InChIKey of (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine?
The InChIKey is NXUQSIWRJNJWQZ-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-11(13)7-9-15-10-8-12(14)6-4-2/h7-12H,3-6,13-14H2,1-2H3/b9-7+,10-8+.
What are the key properties of (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine?
(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine has a molecular weight of 212.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine is sourced from PubChem (CID 87792206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).