(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol

C7H13NO — CID 138597164

IUPAC(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol
SMILESCC(C)=C/C(N)=C(\C)O
InChIInChI=1S/C7H13NO/c1-5(2)4-7(8)6(3)9/h4,9H,8H2,1-3H3/b7-6-
InChIKeyABVJLELAOGWQMQ-SREVYHEPSA-N
MW127.19 g/mol
LogP1.70
Rot. Bonds1

About (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol

(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol (PubChem CID 138597164) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol
PubChem CID138597164
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol
SMILESCC(C)=C/C(N)=C(\C)O
InChIInChI=1S/C7H13NO/c1-5(2)4-7(8)6(3)9/h4,9H,8H2,1-3H3/b7-6-
InChIKeyABVJLELAOGWQMQ-SREVYHEPSA-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'}

Analyze (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-5-aminohepta-2,4,6-trien-2-ol
CID 89200493
(3Z,5Z)-3-aminohepta-1,3,5-trien-4-ol
CID 90377140
(3Z,5Z)-4-aminohepta-1,3,5-trien-3-ol
CID 117801232
6-Methyl-4-propan-2-ylideneoxathiazine
CID 123143924
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(2E,4E)-5-aminohexa-2,4-dien-2-ol
CID 135128469
(2Z,4Z)-3-aminohepta-2,4,6-trien-2-ol
CID 142171518
(2E)-4-aminopenta-2,4-dien-2-ol
CID 142616712
(2E,4E)-5-aminohepta-2,4,6-trien-2-ol;ethane
CID 143164410
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844
(2E,4E)-5-aminohepta-2,4,6-trien-2-ol;ethane
CID 144266504
(4E)-5-methoxy-2-methylhexa-2,4-dien-3-amine
CID 144501893

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol?
The IUPAC name of (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol (CID 138597164) is (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol.
What is the SMILES notation for (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol?
The canonical SMILES for (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol is CC(C)=C/C(N)=C(\C)O.
What is the InChIKey of (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol?
The InChIKey is ABVJLELAOGWQMQ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)4-7(8)6(3)9/h4,9H,8H2,1-3H3/b7-6-.
What are the key properties of (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol?
(2Z)-3-amino-5-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 (2Z)-3-amino-5-methylhexa-2,4-dien-2-ol is sourced from PubChem (CID 138597164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).