N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine

C15H27N3 — CID 79870930

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCn1nc(C)cc1CNC1CCCCC1(C)C
InChIInChI=1S/C15H27N3/c1-5-18-13(10-12(2)17-18)11-16-14-8-6-7-9-15(14,3)4/h10,14,16H,5-9,11H2,1-4H3
InChIKeyYVTHQSPXWGABDF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79870930) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79870930
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCn1nc(C)cc1CNC1CCCCC1(C)C
InChIInChI=1S/C15H27N3/c1-5-18-13(10-12(2)17-18)11-16-14-8-6-7-9-15(14,3)4/h10,14,16H,5-9,11H2,1-4H3
InChIKeyYVTHQSPXWGABDF-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79870930) is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine is CCn1nc(C)cc1CNC1CCCCC1(C)C.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is YVTHQSPXWGABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18-13(10-12(2)17-18)11-16-14-8-6-7-9-15(14,3)4/h10,14,16H,5-9,11H2,1-4H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79870930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).