(3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol

C10H20N2O3 — CID 167290667

IUPAC(3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol
SMILESCO/C(C)=C(N)/C=C\CC(O)NCCO
InChIInChI=1S/C10H20N2O3/c1-8(15-2)9(11)4-3-5-10(14)12-6-7-13/h3-4,10,12-14H,5-7,11H2,1-2H3/b4-3-,9-8-
InChIKeyYFNJKTCRRRTBEC-JYKTZQBOSA-N
MW216.28 g/mol
LogP-0.33
Rot. Bonds7

About (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol

(3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol (PubChem CID 167290667) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol
PubChem CID167290667
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol
SMILESCO/C(C)=C(N)/C=C\CC(O)NCCO
InChIInChI=1S/C10H20N2O3/c1-8(15-2)9(11)4-3-5-10(14)12-6-7-13/h3-4,10,12-14H,5-7,11H2,1-2H3/b4-3-,9-8-
InChIKeyYFNJKTCRRRTBEC-JYKTZQBOSA-N
XLogP-0.33
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol?
The IUPAC name of (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol (CID 167290667) is (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol?
The canonical SMILES for (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol is CO/C(C)=C(N)/C=C\CC(O)NCCO.
What is the InChIKey of (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol?
The InChIKey is YFNJKTCRRRTBEC-JYKTZQBOSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(15-2)9(11)4-3-5-10(14)12-6-7-13/h3-4,10,12-14H,5-7,11H2,1-2H3/b4-3-,9-8-.
What are the key properties of (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol?
(3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol has a molecular weight of 216.28 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-amino-1-(2-hydroxyethylamino)-6-methoxyhepta-3,5-dien-1-ol is sourced from PubChem (CID 167290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).