N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C15H27N3 — CID 113434855

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCCc1ccn(C)n1
InChIInChI=1S/C15H27N3/c1-12(2)14-6-4-5-7-15(14)16-10-8-13-9-11-18(3)17-13/h9,11-12,14-16H,4-8,10H2,1-3H3
InChIKeyHPCVXTKLZDLWLQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 113434855) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID113434855
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1NCCc1ccn(C)n1
InChIInChI=1S/C15H27N3/c1-12(2)14-6-4-5-7-15(14)16-10-8-13-9-11-18(3)17-13/h9,11-12,14-16H,4-8,10H2,1-3H3
InChIKeyHPCVXTKLZDLWLQ-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 104629202
2-ethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104629179
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 106104216
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106104440
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104629142
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
CID 104629208
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 113434855) is N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCCC1NCCc1ccn(C)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is HPCVXTKLZDLWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)14-6-4-5-7-15(14)16-10-8-13-9-11-18(3)17-13/h9,11-12,14-16H,4-8,10H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 113434855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).