(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol

C7H11NO — CID 143879016

IUPAC(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/C)C(=C)O
InChIInChI=1S/C7H11NO/c1-5(7(3)9)4-6(2)8/h4,9H,2-3,8H2,1H3/b5-4-
InChIKeyPKIXKNJHRHKBRT-PLNGDYQASA-N
MW125.17 g/mol
LogP1.48
Rot. Bonds2

About (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol

(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol (PubChem CID 143879016) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol
PubChem CID143879016
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C(/C)C(=C)O
InChIInChI=1S/C7H11NO/c1-5(7(3)9)4-6(2)8/h4,9H,2-3,8H2,1H3/b5-4-
InChIKeyPKIXKNJHRHKBRT-PLNGDYQASA-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

(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
CID 142544255
2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(3Z,5E)-5-aminohepta-1,3,5-trien-2-ol
CID 89221417
(3E)-3-amino-4-methylhexa-1,3,5-trien-2-ol
CID 126700098
(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol
CID 129092981
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641
(E)-2-(1-aminoethenyl)but-2-en-1-ol
CID 137473869
(3E,4Z,7Z,9Z)-5-amino-3-ethylidene-8-methyl-6-methylideneundeca-1,4,7,9-tetraen-2-ol
CID 137503908

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol (CID 143879016) is (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol is C=C(N)/C=C(/C)C(=C)O.
What is the InChIKey of (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol?
The InChIKey is PKIXKNJHRHKBRT-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11NO/c1-5(7(3)9)4-6(2)8/h4,9H,2-3,8H2,1H3/b5-4-.
What are the key properties of (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol?
(3Z)-5-amino-3-methylhexa-1,3,5-trien-2-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 (3Z)-5-amino-3-methylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 143879016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).