8-(1H-imidazol-5-yl)octan-1-amine

C11H21N3 — CID 10420190

IUPAC8-(1H-imidazol-5-yl)octan-1-amine
SMILESNCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c12-8-6-4-2-1-3-5-7-11-9-13-10-14-11/h9-10H,1-8,12H2,(H,13,14)
InChIKeyIXZDLPYKIIELLK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds8

About 8-(1H-imidazol-5-yl)octan-1-amine

8-(1H-imidazol-5-yl)octan-1-amine (PubChem CID 10420190) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 8-(1H-imidazol-5-yl)octan-1-amine.

Molecular Properties

Compound Name8-(1H-imidazol-5-yl)octan-1-amine
PubChem CID10420190
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name8-(1H-imidazol-5-yl)octan-1-amine
SMILESNCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c12-8-6-4-2-1-3-5-7-11-9-13-10-14-11/h9-10H,1-8,12H2,(H,13,14)
InChIKeyIXZDLPYKIIELLK-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 8-(1H-imidazol-5-yl)octan-1-amine?
The IUPAC name of 8-(1H-imidazol-5-yl)octan-1-amine (CID 10420190) is 8-(1H-imidazol-5-yl)octan-1-amine.
What is the SMILES notation for 8-(1H-imidazol-5-yl)octan-1-amine?
The canonical SMILES for 8-(1H-imidazol-5-yl)octan-1-amine is NCCCCCCCCc1cnc[nH]1.
What is the InChIKey of 8-(1H-imidazol-5-yl)octan-1-amine?
The InChIKey is IXZDLPYKIIELLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c12-8-6-4-2-1-3-5-7-11-9-13-10-14-11/h9-10H,1-8,12H2,(H,13,14).
What are the key properties of 8-(1H-imidazol-5-yl)octan-1-amine?
8-(1H-imidazol-5-yl)octan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-5-yl)octan-1-amine is sourced from PubChem (CID 10420190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).