N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine

C13H26N4 — CID 103005291

IUPACN'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCc1ccnn1C)CC(C)(C)CN
InChIInChI=1S/C13H26N4/c1-5-17(11-13(2,3)10-14)9-7-12-6-8-15-16(12)4/h6,8H,5,7,9-11,14H2,1-4H3
InChIKeyUGGJMPMSNWJDIQ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.27
Rot. Bonds7

About N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine (PubChem CID 103005291) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
PubChem CID103005291
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCc1ccnn1C)CC(C)(C)CN
InChIInChI=1S/C13H26N4/c1-5-17(11-13(2,3)10-14)9-7-12-6-8-15-16(12)4/h6,8H,5,7,9-11,14H2,1-4H3
InChIKeyUGGJMPMSNWJDIQ-UHFFFAOYSA-N
XLogP1.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine (CID 103005291) is N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine is CCN(CCc1ccnn1C)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
The InChIKey is UGGJMPMSNWJDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-17(11-13(2,3)10-14)9-7-12-6-8-15-16(12)4/h6,8H,5,7,9-11,14H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 103005291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).