1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane

C14H26N4 — CID 102807154

IUPAC1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane
SMILESCCC1CCN(c2cn(C)nc2C)CCC(C)N1
InChIInChI=1S/C14H26N4/c1-5-13-7-9-18(8-6-11(2)15-13)14-10-17(4)16-12(14)3/h10-11,13,15H,5-9H2,1-4H3
InChIKeyYMMBZPHOQFKKAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.09
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane

1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane (PubChem CID 102807154) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane
PubChem CID102807154
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane
SMILESCCC1CCN(c2cn(C)nc2C)CCC(C)N1
InChIInChI=1S/C14H26N4/c1-5-13-7-9-18(8-6-11(2)15-13)14-10-17(4)16-12(14)3/h10-11,13,15H,5-9H2,1-4H3
InChIKeyYMMBZPHOQFKKAO-UHFFFAOYSA-N
XLogP2.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-1H-pyrazol-4-amine
CID 573813
1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 12687197
1-ethyl-5-methyl-1H-pyrazol-4-amine
CID 7019324
1,3-dimethyl-1H-pyrazol-4-amine
CID 4431056
1,3-dimethyl-1H-pyrazol-4-amine dihydrochloride
CID 17349594
3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 19619547
1-butyl-5-methyl-1H-pyrazol-4-amine
CID 19620093
5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-amine
CID 19620096
1-ethyl-3-methyl-1H-pyrazol-4-amine hydrochloride
CID 45156280
3-methyl-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
CID 68673989
3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
1-(2-fluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 69281649

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane (CID 102807154) is 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane is CCC1CCN(c2cn(C)nc2C)CCC(C)N1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
The InChIKey is YMMBZPHOQFKKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-13-7-9-18(8-6-11(2)15-13)14-10-17(4)16-12(14)3/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane has a molecular weight of 250.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane is sourced from PubChem (CID 102807154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).