(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol

C7H13NO — CID 129145728

IUPAC(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
SMILESC/C(O)=C\C(C)=C(/C)N
InChIInChI=1S/C7H13NO/c1-5(7(3)8)4-6(2)9/h4,9H,8H2,1-3H3/b6-4+,7-5+
InChIKeyCSYDORPEXNTVNJ-YDFGWWAZSA-N
MW127.19 g/mol
LogP1.70
Rot. Bonds1

About (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol

(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol (PubChem CID 129145728) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
PubChem CID129145728
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
SMILESC/C(O)=C\C(C)=C(/C)N
InChIInChI=1S/C7H13NO/c1-5(7(3)8)4-6(2)9/h4,9H,8H2,1-3H3/b6-4+,7-5+
InChIKeyCSYDORPEXNTVNJ-YDFGWWAZSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.70
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

2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
CID 126500173
(2Z,4Z)-2-aminohepta-2,4-dien-3-ol
CID 129054924
(3Z)-4-aminohexa-1,3-dien-3-ol
CID 130269457
(3E)-5-aminohexa-3,5-dien-3-ol
CID 132207868
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
CID 137384297
(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol
CID 138597164
(3E,5E)-6-aminohepta-3,5-dien-3-ol;ethane
CID 141772048
(3E,5E)-6-aminohepta-3,5-dien-3-ol
CID 141772049

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol (CID 129145728) is (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol is C/C(O)=C\C(C)=C(/C)N.
What is the InChIKey of (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol?
The InChIKey is CSYDORPEXNTVNJ-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(7(3)8)4-6(2)9/h4,9H,8H2,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol?
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol is sourced from PubChem (CID 129145728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).