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

C14H27N3 — CID 104627896

IUPAC2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CNCCn1cc(C)cn1
InChIInChI=1S/C14H27N3/c1-4-6-7-14(5-2)11-15-8-9-17-12-13(3)10-16-17/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyHIQRWGIXUUGNES-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.00
Rot. Bonds9

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

2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine (PubChem CID 104627896) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
PubChem CID104627896
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)CNCCn1cc(C)cn1
InChIInChI=1S/C14H27N3/c1-4-6-7-14(5-2)11-15-8-9-17-12-13(3)10-16-17/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyHIQRWGIXUUGNES-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-((1-Methyl-1H-pyrazol-4-yl)methyl)piperazine
CID 7022272
3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine
CID 46318291
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
2-(4-Methyl-1H-pyrazol-1-yl)ethan-1-amine
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[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)amine
CID 42281904
4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole
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2-(4-ethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 84731133
[1-(2-methylpropyl)-1H-pyrazol-4-yl]methanamine
CID 25248079
[(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
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3-(4-methyl-1H-pyrazol-1-yl)butan-2-amine
CID 54592650

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine (CID 104627896) is 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine is CCCCC(CC)CNCCn1cc(C)cn1.
What is the InChIKey of 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine?
The InChIKey is HIQRWGIXUUGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-6-7-14(5-2)11-15-8-9-17-12-13(3)10-16-17/h10,12,14-15H,4-9,11H2,1-3H3.
What are the key properties of 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine?
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 104627896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).