N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride

C11H24Cl2N4 — CID 119928890

IUPACN',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
SMILESCN(CCn1cccn1)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C11H22N4.2ClH/c1-11(2,9-12)10-14(3)7-8-15-6-4-5-13-15;;/h4-6H,7-10,12H2,1-3H3;2*1H
InChIKeyGZRLFSQGOZGJEI-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.64
Rot. Bonds6

About N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride

N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride (PubChem CID 119928890) has the molecular formula C11H24Cl2N4 and a molecular weight of 283.25 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
PubChem CID119928890
Molecular FormulaC11H24Cl2N4
Molecular Weight283.25 g/mol
Exact Mass282.14
IUPAC NameN',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
SMILESCN(CCn1cccn1)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C11H22N4.2ClH/c1-11(2,9-12)10-14(3)7-8-15-6-4-5-13-15;;/h4-6H,7-10,12H2,1-3H3;2*1H
InChIKeyGZRLFSQGOZGJEI-UHFFFAOYSA-N
XLogP1.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride?
The IUPAC name of N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride (CID 119928890) is N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride is CN(CCn1cccn1)CC(C)(C)CN.Cl.Cl.
What is the InChIKey of N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride?
The InChIKey is GZRLFSQGOZGJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4.2ClH/c1-11(2,9-12)10-14(3)7-8-15-6-4-5-13-15;;/h4-6H,7-10,12H2,1-3H3;2*1H.
What are the key properties of N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride?
N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride has a molecular weight of 283.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 119928890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).