3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol

C13H25N3O — CID 14888769

IUPAC3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc(CN)c1
InChIInChI=1S/C13H25N3O/c1-3-4-5-6-7-13(11(2)17)16-9-12(8-14)15-10-16/h9-11,13,17H,3-8,14H2,1-2H3
InChIKeyYSOLMNPLEMKSDU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds8

About 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol

3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol (PubChem CID 14888769) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol
PubChem CID14888769
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc(CN)c1
InChIInChI=1S/C13H25N3O/c1-3-4-5-6-7-13(11(2)17)16-9-12(8-14)15-10-16/h9-11,13,17H,3-8,14H2,1-2H3
InChIKeyYSOLMNPLEMKSDU-UHFFFAOYSA-N
XLogP2.23
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol?
The IUPAC name of 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol (CID 14888769) is 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol.
What is the SMILES notation for 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol?
The canonical SMILES for 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol is CCCCCCC(C(C)O)n1cnc(CN)c1.
What is the InChIKey of 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol?
The InChIKey is YSOLMNPLEMKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-4-5-6-7-13(11(2)17)16-9-12(8-14)15-10-16/h9-11,13,17H,3-8,14H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol?
3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)imidazol-1-yl]nonan-2-ol is sourced from PubChem (CID 14888769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).