(3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol

C13H24N2O — CID 167117898

IUPAC(3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol
SMILESC=C/C=C(\C=N\C)[C@H](O)[C@@H](CCCC)NC
InChIInChI=1S/C13H24N2O/c1-5-7-9-12(15-4)13(16)11(8-6-2)10-14-3/h6,8,10,12-13,15-16H,2,5,7,9H2,1,3-4H3/b11-8+,14-10+/t12-,13+/m1/s1
InChIKeyRMUJQKQFUACXIW-FCGNXDBVSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds8

About (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol

(3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol (PubChem CID 167117898) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol.

Molecular Properties

Compound Name(3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol
PubChem CID167117898
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol
SMILESC=C/C=C(\C=N\C)[C@H](O)[C@@H](CCCC)NC
InChIInChI=1S/C13H24N2O/c1-5-7-9-12(15-4)13(16)11(8-6-2)10-14-3/h6,8,10,12-13,15-16H,2,5,7,9H2,1,3-4H3/b11-8+,14-10+/t12-,13+/m1/s1
InChIKeyRMUJQKQFUACXIW-FCGNXDBVSA-N
XLogP1.94
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol?
The IUPAC name of (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol (CID 167117898) is (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol.
What is the SMILES notation for (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol?
The canonical SMILES for (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol is C=C/C=C(\C=N\C)[C@H](O)[C@@H](CCCC)NC.
What is the InChIKey of (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol?
The InChIKey is RMUJQKQFUACXIW-FCGNXDBVSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-7-9-12(15-4)13(16)11(8-6-2)10-14-3/h6,8,10,12-13,15-16H,2,5,7,9H2,1,3-4H3/b11-8+,14-10+/t12-,13+/m1/s1.
What are the key properties of (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol?
(3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol has a molecular weight of 224.35 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,6R)-6-(methylamino)-4-(methyliminomethyl)deca-1,3-dien-5-ol is sourced from PubChem (CID 167117898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).