N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine

C14H23N3 — CID 126796859

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine
SMILESCC(NC1C=CCCCCC1)c1cnn(C)c1
InChIInChI=1S/C14H23N3/c1-12(13-10-15-17(2)11-13)16-14-8-6-4-3-5-7-9-14/h6,8,10-12,14,16H,3-5,7,9H2,1-2H3
InChIKeyYFXXUAKCYHIXEP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine

N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine (PubChem CID 126796859) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine
PubChem CID126796859
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine
SMILESCC(NC1C=CCCCCC1)c1cnn(C)c1
InChIInChI=1S/C14H23N3/c1-12(13-10-15-17(2)11-13)16-14-8-6-4-3-5-7-9-14/h6,8,10-12,14,16H,3-5,7,9H2,1-2H3
InChIKeyYFXXUAKCYHIXEP-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine (CID 126796859) is N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine is CC(NC1C=CCCCCC1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine?
The InChIKey is YFXXUAKCYHIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(13-10-15-17(2)11-13)16-14-8-6-4-3-5-7-9-14/h6,8,10-12,14,16H,3-5,7,9H2,1-2H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine?
N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]cyclooct-2-en-1-amine is sourced from PubChem (CID 126796859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).