N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine

C14H27N3 — CID 102812165

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
SMILESCCCCCC(NCC)c1cn(C)nc1CC
InChIInChI=1S/C14H27N3/c1-5-8-9-10-14(15-7-3)12-11-17(4)16-13(12)6-2/h11,14-15H,5-10H2,1-4H3
InChIKeyCNZMLMNLMBOVJF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds8

About N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine (PubChem CID 102812165) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
PubChem CID102812165
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
SMILESCCCCCC(NCC)c1cn(C)nc1CC
InChIInChI=1S/C14H27N3/c1-5-8-9-10-14(15-7-3)12-11-17(4)16-13(12)6-2/h11,14-15H,5-10H2,1-4H3
InChIKeyCNZMLMNLMBOVJF-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
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-(3-ethyl-1-methylpyrazol-4-yl)decylhydrazine
CID 102813033
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
CID 107012014
1-(3-ethyl-1-methylpyrazol-4-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 102812433
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102812906
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102812405
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
CID 107011544
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 102804358
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine (CID 102812165) is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine is CCCCCC(NCC)c1cn(C)nc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine?
The InChIKey is CNZMLMNLMBOVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-9-10-14(15-7-3)12-11-17(4)16-13(12)6-2/h11,14-15H,5-10H2,1-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine is sourced from PubChem (CID 102812165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).