N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine

C14H27N3 — CID 105129458

IUPACN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3/c1-6-8-9-10-13(15-7-2)14-11(3)16-17(5)12(14)4/h13,15H,6-10H2,1-5H3
InChIKeyMZPIEBXSRSMXSO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.27
Rot. Bonds7

About N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine

N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine (PubChem CID 105129458) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
PubChem CID105129458
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3/c1-6-8-9-10-13(15-7-2)14-11(3)16-17(5)12(14)4/h13,15H,6-10H2,1-5H3
InChIKeyMZPIEBXSRSMXSO-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.27
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

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105174254
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105137835
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105156786
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105179874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine (CID 105129458) is N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine is CCCCCC(NCC)c1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
The InChIKey is MZPIEBXSRSMXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-9-10-13(15-7-2)14-11(3)16-17(5)12(14)4/h13,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine is sourced from PubChem (CID 105129458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).