N-(3-imidazol-1-ylpropyl)cyclooctanamine

C14H25N3 — CID 2846342

IUPACN-(3-imidazol-1-ylpropyl)cyclooctanamine
SMILESc1cn(CCCNC2CCCCCCC2)cn1
InChIInChI=1S/C14H25N3/c1-2-4-7-14(8-5-3-1)16-9-6-11-17-12-10-15-13-17/h10,12-14,16H,1-9,11H2
InChIKeyTZSYTZXCQRTFQS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.98
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)cyclooctanamine

N-(3-imidazol-1-ylpropyl)cyclooctanamine (PubChem CID 2846342) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)cyclooctanamine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)cyclooctanamine
PubChem CID2846342
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(3-imidazol-1-ylpropyl)cyclooctanamine
SMILESc1cn(CCCNC2CCCCCCC2)cn1
InChIInChI=1S/C14H25N3/c1-2-4-7-14(8-5-3-1)16-9-6-11-17-12-10-15-13-17/h10,12-14,16H,1-9,11H2
InChIKeyTZSYTZXCQRTFQS-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(3-imidazol-1-ylpropyl)cyclooctanamine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)cyclooctanamine (CID 2846342) is N-(3-imidazol-1-ylpropyl)cyclooctanamine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)cyclooctanamine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)cyclooctanamine is c1cn(CCCNC2CCCCCCC2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)cyclooctanamine?
The InChIKey is TZSYTZXCQRTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-4-7-14(8-5-3-1)16-9-6-11-17-12-10-15-13-17/h10,12-14,16H,1-9,11H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)cyclooctanamine?
N-(3-imidazol-1-ylpropyl)cyclooctanamine has a molecular weight of 235.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)cyclooctanamine is sourced from PubChem (CID 2846342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).