2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine

C15H28N4 — CID 112669237

IUPAC2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1C(CN)N1CCCCCCC1
InChIInChI=1S/C15H28N4/c1-3-14-13(12-18(2)17-14)15(11-16)19-9-7-5-4-6-8-10-19/h12,15H,3-11,16H2,1-2H3
InChIKeyRTYAFXNECYOCTI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.25
Rot. Bonds4

About 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine

2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine (PubChem CID 112669237) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
PubChem CID112669237
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1C(CN)N1CCCCCCC1
InChIInChI=1S/C15H28N4/c1-3-14-13(12-18(2)17-14)15(11-16)19-9-7-5-4-6-8-10-19/h12,15H,3-11,16H2,1-2H3
InChIKeyRTYAFXNECYOCTI-UHFFFAOYSA-N
XLogP2.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 115989905
1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 115989994
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 112669485
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
CID 112669602
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 83088760
2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 83088573
2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 83088829
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592634
2-(1,3-dimethylpyrazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 83089014
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine (CID 112669237) is 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine is CCc1nn(C)cc1C(CN)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The InChIKey is RTYAFXNECYOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-14-13(12-18(2)17-14)15(11-16)19-9-7-5-4-6-8-10-19/h12,15H,3-11,16H2,1-2H3.
What are the key properties of 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 112669237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).