(2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol

C10H18N2O2 — CID 146559535

IUPAC(2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol
SMILESC=N/C=C\C=C(/C)C[C@@H](N)C(O)OC
InChIInChI=1S/C10H18N2O2/c1-8(5-4-6-12-2)7-9(11)10(13)14-3/h4-6,9-10,13H,2,7,11H2,1,3H3/b6-4-,8-5+/t9-,10?/m1/s1
InChIKeyXVXPRKKOVMNQCJ-BZXOPVMBSA-N
MW198.27 g/mol
LogP0.83
Rot. Bonds6

About (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol

(2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol (PubChem CID 146559535) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol
PubChem CID146559535
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol
SMILESC=N/C=C\C=C(/C)C[C@@H](N)C(O)OC
InChIInChI=1S/C10H18N2O2/c1-8(5-4-6-12-2)7-9(11)10(13)14-3/h4-6,9-10,13H,2,7,11H2,1,3H3/b6-4-,8-5+/t9-,10?/m1/s1
InChIKeyXVXPRKKOVMNQCJ-BZXOPVMBSA-N
XLogP0.83
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol?
The IUPAC name of (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol (CID 146559535) is (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol.
What is the SMILES notation for (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol?
The canonical SMILES for (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol is C=N/C=C\C=C(/C)C[C@@H](N)C(O)OC.
What is the InChIKey of (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol?
The InChIKey is XVXPRKKOVMNQCJ-BZXOPVMBSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(5-4-6-12-2)7-9(11)10(13)14-3/h4-6,9-10,13H,2,7,11H2,1,3H3/b6-4-,8-5+/t9-,10?/m1/s1.
What are the key properties of (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol?
(2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6Z)-2-amino-1-methoxy-4-methyl-7-(methylideneamino)hepta-4,6-dien-1-ol is sourced from PubChem (CID 146559535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).