N',N'-diethylpropane-1,3-diamine;piperazine

C11H28N4 — CID 67567532

IUPACN',N'-diethylpropane-1,3-diamine;piperazine
SMILESC1CNCCN1.CCN(CC)CCCN
InChIInChI=1S/C7H18N2.C4H10N2/c1-3-9(4-2)7-5-6-8;1-2-6-4-3-5-1/h3-8H2,1-2H3;5-6H,1-4H2
InChIKeyMCZWQHSLORBSIX-UHFFFAOYSA-N
MW216.37 g/mol
LogP-0.14
Rot. Bonds5

About N',N'-diethylpropane-1,3-diamine;piperazine

N',N'-diethylpropane-1,3-diamine;piperazine (PubChem CID 67567532) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is N',N'-diethylpropane-1,3-diamine;piperazine.

Molecular Properties

Compound NameN',N'-diethylpropane-1,3-diamine;piperazine
PubChem CID67567532
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC NameN',N'-diethylpropane-1,3-diamine;piperazine
SMILESC1CNCCN1.CCN(CC)CCCN
InChIInChI=1S/C7H18N2.C4H10N2/c1-3-9(4-2)7-5-6-8;1-2-6-4-3-5-1/h3-8H2,1-2H3;5-6H,1-4H2
InChIKeyMCZWQHSLORBSIX-UHFFFAOYSA-N
XLogP-0.14
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethylpropane-1,3-diamine;piperazine?
The IUPAC name of N',N'-diethylpropane-1,3-diamine;piperazine (CID 67567532) is N',N'-diethylpropane-1,3-diamine;piperazine.
What is the SMILES notation for N',N'-diethylpropane-1,3-diamine;piperazine?
The canonical SMILES for N',N'-diethylpropane-1,3-diamine;piperazine is C1CNCCN1.CCN(CC)CCCN.
What is the InChIKey of N',N'-diethylpropane-1,3-diamine;piperazine?
The InChIKey is MCZWQHSLORBSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.C4H10N2/c1-3-9(4-2)7-5-6-8;1-2-6-4-3-5-1/h3-8H2,1-2H3;5-6H,1-4H2.
What are the key properties of N',N'-diethylpropane-1,3-diamine;piperazine?
N',N'-diethylpropane-1,3-diamine;piperazine has a molecular weight of 216.37 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylpropane-1,3-diamine;piperazine is sourced from PubChem (CID 67567532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).