N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C16H32N4 — CID 79661919

IUPACN'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(CC)nn1CC)CC(C)(C)CN
InChIInChI=1S/C16H32N4/c1-6-9-19(13-16(4,5)12-17)11-15-10-14(7-2)18-20(15)8-3/h10H,6-9,11-13,17H2,1-5H3
InChIKeyXRERQDWQIAJPOP-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds9

About N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79661919) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79661919
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(CC)nn1CC)CC(C)(C)CN
InChIInChI=1S/C16H32N4/c1-6-9-19(13-16(4,5)12-17)11-15-10-14(7-2)18-20(15)8-3/h10H,6-9,11-13,17H2,1-5H3
InChIKeyXRERQDWQIAJPOP-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79661919) is N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cc(CC)nn1CC)CC(C)(C)CN.
What is the InChIKey of N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is XRERQDWQIAJPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-6-9-19(13-16(4,5)12-17)11-15-10-14(7-2)18-20(15)8-3/h10H,6-9,11-13,17H2,1-5H3.
What are the key properties of N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).