1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine

C14H27N3 — CID 102804358

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1cn(C)nc1C
InChIInChI=1S/C14H27N3/c1-6-15-14(9-7-8-11(2)3)13-10-17(5)16-12(13)4/h10-11,14-15H,6-9H2,1-5H3
InChIKeyYQDQMCXXFLLOBW-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds7

About 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 102804358) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
PubChem CID102804358
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1cn(C)nc1C
InChIInChI=1S/C14H27N3/c1-6-15-14(9-7-8-11(2)3)13-10-17(5)16-12(13)4/h10-11,14-15H,6-9H2,1-5H3
InChIKeyYQDQMCXXFLLOBW-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
1-(1,3-dimethylpyrazol-4-yl)-N-ethylpent-4-yn-1-amine
CID 102803730
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 102804477
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 102803821
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691
1-(1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 102804304
1-(1,3-dimethylpyrazol-4-yl)decylhydrazine
CID 102804828
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine (CID 102804358) is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is YQDQMCXXFLLOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-15-14(9-7-8-11(2)3)13-10-17(5)16-12(13)4/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 102804358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).