(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane

C8H15NO — CID 143142276

IUPAC(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane
SMILESC=C/C(O)=C\C=C/N.CC
InChIInChI=1S/C6H9NO.C2H6/c1-2-6(8)4-3-5-7;1-2/h2-5,8H,1,7H2;1-2H3/b5-3-,6-4+;
InChIKeyNAKRPAKDMUGQKX-HQWJOSOMSA-N
MW141.21 g/mol
LogP2.11
Rot. Bonds2

About (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane

(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane (PubChem CID 143142276) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane.

Molecular Properties

Compound Name(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane
PubChem CID143142276
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane
SMILESC=C/C(O)=C\C=C/N.CC
InChIInChI=1S/C6H9NO.C2H6/c1-2-6(8)4-3-5-7;1-2/h2-5,8H,1,7H2;1-2H3/b5-3-,6-4+;
InChIKeyNAKRPAKDMUGQKX-HQWJOSOMSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane?
The IUPAC name of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane (CID 143142276) is (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane.
What is the SMILES notation for (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane?
The canonical SMILES for (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane is C=C/C(O)=C\C=C/N.CC.
What is the InChIKey of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane?
The InChIKey is NAKRPAKDMUGQKX-HQWJOSOMSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-2-6(8)4-3-5-7;1-2/h2-5,8H,1,7H2;1-2H3/b5-3-,6-4+;.
What are the key properties of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane?
(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane has a molecular weight of 141.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane is sourced from PubChem (CID 143142276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).