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

C15H27N3 — CID 107011544

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1cn(C)nc1CC
InChIInChI=1S/C15H27N3/c1-5-7-8-9-10-11-15(16-3)13-12-18(4)17-14(13)6-2/h5,12,15-16H,1,6-11H2,2-4H3
InChIKeyRYBUSYPVZRWSDQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds9

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

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine (PubChem CID 107011544) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
PubChem CID107011544
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1cn(C)nc1CC
InChIInChI=1S/C15H27N3/c1-5-7-8-9-10-11-15(16-3)13-12-18(4)17-14(13)6-2/h5,12,15-16H,1,6-11H2,2-4H3
InChIKeyRYBUSYPVZRWSDQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.38
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-propyloct-7-en-1-amine
CID 107012014
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
1-(3-ethyl-1-methylpyrazol-4-yl)decylhydrazine
CID 102813033
N-methyl-1-(1-methylpyrazol-3-yl)oct-7-en-1-amine
CID 107009195
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812422
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-methyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975594
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine (CID 107011544) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1cn(C)nc1CC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine?
The InChIKey is RYBUSYPVZRWSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-7-8-9-10-11-15(16-3)13-12-18(4)17-14(13)6-2/h5,12,15-16H,1,6-11H2,2-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.38, 9 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-methyloct-7-en-1-amine is sourced from PubChem (CID 107011544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).