4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol

C7H14N2O — CID 57054049

IUPAC4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol
SMILESNC1CC=CCNCC1O
InChIInChI=1S/C7H14N2O/c8-6-3-1-2-4-9-5-7(6)10/h1-2,6-7,9-10H,3-5,8H2
InChIKeyUCXBMPSDKBKJSF-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.78
Rot. Bonds

About 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol

4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol (PubChem CID 57054049) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol.

Molecular Properties

Compound Name4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol
PubChem CID57054049
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol
SMILESNC1CC=CCNCC1O
InChIInChI=1S/C7H14N2O/c8-6-3-1-2-4-9-5-7(6)10/h1-2,6-7,9-10H,3-5,8H2
InChIKeyUCXBMPSDKBKJSF-UHFFFAOYSA-N
XLogP-0.78
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol?
The IUPAC name of 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol (CID 57054049) is 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol.
What is the SMILES notation for 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol?
The canonical SMILES for 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol is NC1CC=CCNCC1O.
What is the InChIKey of 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol?
The InChIKey is UCXBMPSDKBKJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-6-3-1-2-4-9-5-7(6)10/h1-2,6-7,9-10H,3-5,8H2.
What are the key properties of 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol?
4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol has a molecular weight of 142.20 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2,3,4,5,8-hexahydroazocin-3-ol is sourced from PubChem (CID 57054049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).