1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine

C17H31N3 — CID 107012014

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cn(C)nc1CC
InChIInChI=1S/C17H31N3/c1-5-8-9-10-11-12-17(18-13-6-2)15-14-20(4)19-16(15)7-3/h5,14,17-18H,1,6-13H2,2-4H3
InChIKeyNVPLMGSABHUAIX-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.16
Rot. Bonds11

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine (PubChem CID 107012014) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
PubChem CID107012014
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1cn(C)nc1CC
InChIInChI=1S/C17H31N3/c1-5-8-9-10-11-12-17(18-13-6-2)15-14-20(4)19-16(15)7-3/h5,14,17-18H,1,6-13H2,2-4H3
InChIKeyNVPLMGSABHUAIX-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
CID 107011544
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-(3-ethyl-1-methylpyrazol-4-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 102812433
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(3-ethyl-1-methylpyrazol-4-yl)decylhydrazine
CID 102813033
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine (CID 107012014) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1cn(C)nc1CC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine?
The InChIKey is NVPLMGSABHUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-8-9-10-11-12-17(18-13-6-2)15-14-20(4)19-16(15)7-3/h5,14,17-18H,1,6-13H2,2-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107012014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).