4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine

C12H20N2O — CID 87501591

IUPAC4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine
SMILESC=CC(N)C(C=C)OC(C=C)C(N)C=C
InChIInChI=1S/C12H20N2O/c1-5-9(13)11(7-3)15-12(8-4)10(14)6-2/h5-12H,1-4,13-14H2
InChIKeyFNUGZTCHIYSFCF-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.14
Rot. Bonds8

About 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine

4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine (PubChem CID 87501591) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine.

Molecular Properties

Compound Name4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine
PubChem CID87501591
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine
SMILESC=CC(N)C(C=C)OC(C=C)C(N)C=C
InChIInChI=1S/C12H20N2O/c1-5-9(13)11(7-3)15-12(8-4)10(14)6-2/h5-12H,1-4,13-14H2
InChIKeyFNUGZTCHIYSFCF-UHFFFAOYSA-N
XLogP1.14
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Vinyl-2-aminoethyl ether
CID 88831914
(5E)-6-fluoro-4-propan-2-yloxyhexa-1,5-dien-3-amine
CID 145312513
2-(1-Aminobut-3-en-2-yloxy)but-3-en-1-amine
CID 88831913
3-Methoxypent-4-en-2-amine
CID 90962870
(2R)-6-(1-aminoethyl)-2-methyl-3,6-dihydro-2H-pyran-3-amine
CID 137530975
4-Ethoxypent-1-en-3-amine
CID 65589595
4-Ethoxyhex-1-en-3-amine
CID 116716225

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine?
The IUPAC name of 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine (CID 87501591) is 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine.
What is the SMILES notation for 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine?
The canonical SMILES for 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine is C=CC(N)C(C=C)OC(C=C)C(N)C=C.
What is the InChIKey of 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine?
The InChIKey is FNUGZTCHIYSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-9(13)11(7-3)15-12(8-4)10(14)6-2/h5-12H,1-4,13-14H2.
What are the key properties of 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine?
4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine has a molecular weight of 208.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminohexa-1,5-dien-3-yloxy)hexa-1,5-dien-3-amine is sourced from PubChem (CID 87501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).