(3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol

C9H16N2O2 — CID 146288805

IUPAC(3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(C)=C\C(NC)=C(/N)OC
InChIInChI=1S/C9H16N2O2/c1-6(7(2)12)5-8(11-3)9(10)13-4/h5,11-12H,2,10H2,1,3-4H3/b6-5-,9-8-
InChIKeyVTQOGQHAWSQBTR-AFJQJTPPSA-N
MW184.24 g/mol
LogP1.00
Rot. Bonds4

About (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol

(3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol (PubChem CID 146288805) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
PubChem CID146288805
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(C)=C\C(NC)=C(/N)OC
InChIInChI=1S/C9H16N2O2/c1-6(7(2)12)5-8(11-3)9(10)13-4/h5,11-12H,2,10H2,1,3-4H3/b6-5-,9-8-
InChIKeyVTQOGQHAWSQBTR-AFJQJTPPSA-N
XLogP1.00
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol (CID 146288805) is (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol is C=C(O)/C(C)=C\C(NC)=C(/N)OC.
What is the InChIKey of (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol?
The InChIKey is VTQOGQHAWSQBTR-AFJQJTPPSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(7(2)12)5-8(11-3)9(10)13-4/h5,11-12H,2,10H2,1,3-4H3/b6-5-,9-8-.
What are the key properties of (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol?
(3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol has a molecular weight of 184.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-amino-6-methoxy-3-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 146288805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).