1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine

C14H25N3 — CID 82876973

IUPAC1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)C2CCCCCCC2)n1
InChIInChI=1S/C14H25N3/c1-17-10-9-13(16-17)11-14(15)12-7-5-3-2-4-6-8-12/h9-10,12,14H,2-8,11,15H2,1H3
InChIKeySAXNHKVPWPHIMF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.65
Rot. Bonds3

About 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine

1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876973) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876973
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)C2CCCCCCC2)n1
InChIInChI=1S/C14H25N3/c1-17-10-9-13(16-17)11-14(15)12-7-5-3-2-4-6-8-12/h9-10,12,14H,2-8,11,15H2,1H3
InChIKeySAXNHKVPWPHIMF-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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Related Compounds

[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 64778611
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877822
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595877

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876973) is 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CC(N)C2CCCCCCC2)n1.
What is the InChIKey of 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is SAXNHKVPWPHIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-17-10-9-13(16-17)11-14(15)12-7-5-3-2-4-6-8-12/h9-10,12,14H,2-8,11,15H2,1H3.
What are the key properties of 1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine 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-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).