2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine

C15H27N3 — CID 54951172

IUPAC2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCn1cccn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-7-4-5-8-14(13)16-10-12-18-11-6-9-17-18/h6,9,11,13-14,16H,4-5,7-8,10,12H2,1-3H3
InChIKeyMLVAEKDBRFAPNQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.08
Rot. Bonds4

About 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine

2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine (PubChem CID 54951172) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
PubChem CID54951172
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCn1cccn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-7-4-5-8-14(13)16-10-12-18-11-6-9-17-18/h6,9,11,13-14,16H,4-5,7-8,10,12H2,1-3H3
InChIKeyMLVAEKDBRFAPNQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine (CID 54951172) is 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCCn1cccn1.
What is the InChIKey of 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
The InChIKey is MLVAEKDBRFAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)13-7-4-5-8-14(13)16-10-12-18-11-6-9-17-18/h6,9,11,13-14,16H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine?
2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 54951172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).