1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol

C12H18N2O — CID 104656322

IUPAC1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1ccnc(N)c1
InChIInChI=1S/C12H18N2O/c1-3-4-6-12(2,15)9-10-5-7-14-11(13)8-10/h3,5,7-8,15H,1,4,6,9H2,2H3,(H2,13,14)
InChIKeyWVJHNMJVYKLKGL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.92
Rot. Bonds5

About 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol

1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol (PubChem CID 104656322) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol
PubChem CID104656322
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1ccnc(N)c1
InChIInChI=1S/C12H18N2O/c1-3-4-6-12(2,15)9-10-5-7-14-11(13)8-10/h3,5,7-8,15H,1,4,6,9H2,2H3,(H2,13,14)
InChIKeyWVJHNMJVYKLKGL-UHFFFAOYSA-N
XLogP1.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
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 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol?
The IUPAC name of 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol (CID 104656322) is 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol is C=CCCC(C)(O)Cc1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol?
The InChIKey is WVJHNMJVYKLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-6-12(2,15)9-10-5-7-14-11(13)8-10/h3,5,7-8,15H,1,4,6,9H2,2H3,(H2,13,14).
What are the key properties of 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol?
1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol has a molecular weight of 206.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol is sourced from PubChem (CID 104656322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).