[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine

C14H25N3 — CID 82870564

IUPAC[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
SMILESCn1ccc(CC2(CN)CCCCCCC2)n1
InChIInChI=1S/C14H25N3/c1-17-10-7-13(16-17)11-14(12-15)8-5-3-2-4-6-9-14/h7,10H,2-6,8-9,11-12,15H2,1H3
InChIKeyGJXASHFQTNEUPF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.65
Rot. Bonds3

About [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine

[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine (PubChem CID 82870564) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
PubChem CID82870564
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
SMILESCn1ccc(CC2(CN)CCCCCCC2)n1
InChIInChI=1S/C14H25N3/c1-17-10-7-13(16-17)11-14(12-15)8-5-3-2-4-6-9-14/h7,10H,2-6,8-9,11-12,15H2,1H3
InChIKeyGJXASHFQTNEUPF-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine?
The IUPAC name of [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine (CID 82870564) is [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine.
What is the SMILES notation for [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine?
The canonical SMILES for [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine is Cn1ccc(CC2(CN)CCCCCCC2)n1.
What is the InChIKey of [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine?
The InChIKey is GJXASHFQTNEUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-17-10-7-13(16-17)11-14(12-15)8-5-3-2-4-6-9-14/h7,10H,2-6,8-9,11-12,15H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine?
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine is sourced from PubChem (CID 82870564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).