(1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol

C8H14N2O — CID 163965655

IUPAC(1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol
SMILESC=C[C@H](/C=C/O)[C@@H](N)C(=C)N
InChIInChI=1S/C8H14N2O/c1-3-7(4-5-11)8(10)6(2)9/h3-5,7-8,11H,1-2,9-10H2/b5-4+/t7-,8+/m1/s1
InChIKeySLMMQDDPLYCLFU-VWFQECGMSA-N
MW154.21 g/mol
LogP0.66
Rot. Bonds4

About (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol

(1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol (PubChem CID 163965655) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol
PubChem CID163965655
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol
SMILESC=C[C@H](/C=C/O)[C@@H](N)C(=C)N
InChIInChI=1S/C8H14N2O/c1-3-7(4-5-11)8(10)6(2)9/h3-5,7-8,11H,1-2,9-10H2/b5-4+/t7-,8+/m1/s1
InChIKeySLMMQDDPLYCLFU-VWFQECGMSA-N
XLogP0.66
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-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 (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol?
The IUPAC name of (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol (CID 163965655) is (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol.
What is the SMILES notation for (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol?
The canonical SMILES for (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol is C=C[C@H](/C=C/O)[C@@H](N)C(=C)N.
What is the InChIKey of (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol?
The InChIKey is SLMMQDDPLYCLFU-VWFQECGMSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(4-5-11)8(10)6(2)9/h3-5,7-8,11H,1-2,9-10H2/b5-4+/t7-,8+/m1/s1.
What are the key properties of (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol?
(1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,4R)-4,5-diamino-3-ethenylhexa-1,5-dien-1-ol is sourced from PubChem (CID 163965655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).