(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol

C7H13NO — CID 137384297

IUPAC(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
SMILESC=C(N)/C=C(\O)C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7(9)4-6(3)8/h4-5,9H,3,8H2,1-2H3/b7-4-
InChIKeyVCIAPONLTAEPHL-DAXSKMNVSA-N
MW127.19 g/mol
LogP1.56
Rot. Bonds2

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

(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol (PubChem CID 137384297) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
PubChem CID137384297
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
SMILESC=C(N)/C=C(\O)C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7(9)4-6(3)8/h4-5,9H,3,8H2,1-2H3/b7-4-
InChIKeyVCIAPONLTAEPHL-DAXSKMNVSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.56
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

3-Aminocyclohexa-1,3-dien-1-ol
CID 22164043
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(3E)-5-aminohexa-3,5-dien-3-ol
CID 132207868
(3E,5E)-6-aminohepta-3,5-dien-3-ol;ethane
CID 141772048
(3E,5E)-6-aminohepta-3,5-dien-3-ol
CID 141772049
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
2-Amino-4-methylcyclohepta-1,3,5-trien-1-ol
CID 142028947
(2Z,4Z)-3-aminohepta-2,4-dien-2-ol
CID 142171572
5-Aminocyclohepta-1,3,5-trien-1-ol
CID 142889473
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol;ethane
CID 143051944
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol?
The IUPAC name of (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol (CID 137384297) is (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol.
What is the SMILES notation for (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol?
The canonical SMILES for (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol is C=C(N)/C=C(\O)C(C)C.
What is the InChIKey of (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol?
The InChIKey is VCIAPONLTAEPHL-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7(9)4-6(3)8/h4-5,9H,3,8H2,1-2H3/b7-4-.
What are the key properties of (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol?
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol has a molecular weight of 127.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-amino-2-methylhexa-3,5-dien-3-ol is sourced from PubChem (CID 137384297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).