3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine

C16H31N3 — CID 105102750

IUPAC3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cc(CC)nn1C
InChIInChI=1S/C16H31N3/c1-6-9-10-13(7-2)11-15(17-4)16-12-14(8-3)18-19(16)5/h12-13,15,17H,6-11H2,1-5H3
InChIKeyGILCWSKJCXHKKF-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.85
Rot. Bonds9

About 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine

3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine (PubChem CID 105102750) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
PubChem CID105102750
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cc(CC)nn1C
InChIInChI=1S/C16H31N3/c1-6-9-10-13(7-2)11-15(17-4)16-12-14(8-3)18-19(16)5/h12-13,15,17H,6-11H2,1-5H3
InChIKeyGILCWSKJCXHKKF-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 105165261
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105174518
2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
CID 114004597
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 105168439
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine (CID 105102750) is 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine is CCCCC(CC)CC(NC)c1cc(CC)nn1C.
What is the InChIKey of 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine?
The InChIKey is GILCWSKJCXHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-9-10-13(7-2)11-15(17-4)16-12-14(8-3)18-19(16)5/h12-13,15,17H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine?
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine is sourced from PubChem (CID 105102750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).