3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine

C14H25N3 — CID 103699250

IUPAC3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCCn2cc(C)cn2)C1
InChIInChI=1S/C14H25N3/c1-3-13-5-4-6-14(9-13)15-7-8-17-11-12(2)10-16-17/h10-11,13-15H,3-9H2,1-2H3
InChIKeyWFEKUDOCDKZUFA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds5

About 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine

3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 103699250) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
PubChem CID103699250
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCCn2cc(C)cn2)C1
InChIInChI=1S/C14H25N3/c1-3-13-5-4-6-14(9-13)15-7-8-17-11-12(2)10-16-17/h10-11,13-15H,3-9H2,1-2H3
InChIKeyWFEKUDOCDKZUFA-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine (CID 103699250) is 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine is CCC1CCCC(NCCn2cc(C)cn2)C1.
What is the InChIKey of 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is WFEKUDOCDKZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-13-5-4-6-14(9-13)15-7-8-17-11-12(2)10-16-17/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine?
3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103699250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).