(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol

C7H11NO — CID 88558814

IUPAC(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
SMILESC/C=C\C(N)=C/C=C/O
InChIInChI=1S/C7H11NO/c1-2-4-7(8)5-3-6-9/h2-6,9H,8H2,1H3/b4-2-,6-3+,7-5+
InChIKeyNNKIDYDDLCOMNN-QFDREYBASA-N
MW125.17 g/mol
LogP1.48
Rot. Bonds2

About (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol

(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol (PubChem CID 88558814) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
PubChem CID88558814
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
SMILESC/C=C\C(N)=C/C=C/O
InChIInChI=1S/C7H11NO/c1-2-4-7(8)5-3-6-9/h2-6,9H,8H2,1H3/b4-2-,6-3+,7-5+
InChIKeyNNKIDYDDLCOMNN-QFDREYBASA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.48
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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Related Compounds

(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(E)-prop-1-en-1-ol;urea
CID 87083567
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
CID 173489040
(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
CID 89010551
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
CID 130341577
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
actinium;(E)-prop-1-en-1-ol
CID 59069824

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol (CID 88558814) is (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol is C/C=C\C(N)=C/C=C/O.
What is the InChIKey of (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol?
The InChIKey is NNKIDYDDLCOMNN-QFDREYBASA-N. The full InChI is InChI=1S/C7H11NO/c1-2-4-7(8)5-3-6-9/h2-6,9H,8H2,1H3/b4-2-,6-3+,7-5+.
What are the key properties of (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol?
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 88558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).