potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane

C13H30KN3 — CID 178034658

IUPACpotassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane
SMILESCC.CCC1(CCN(C)C)CN(CC[NH-])C1.[K+]
InChIInChI=1S/C11H24N3.C2H6.K/c1-4-11(5-7-13(2)3)9-14(10-11)8-6-12;1-2;/h12H,4-10H2,1-3H3;1-2H3;/q-1;;+1
InChIKeyIRGALIHMRKQCNJ-UHFFFAOYSA-N
MW267.50 g/mol
LogP-0.27
Rot. Bonds6

About potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane

potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane (PubChem CID 178034658) has the molecular formula C13H30KN3 and a molecular weight of 267.50 g/mol. Its IUPAC name is potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane.

Molecular Properties

Compound Namepotassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane
PubChem CID178034658
Molecular FormulaC13H30KN3
Molecular Weight267.50 g/mol
Exact Mass267.21
IUPAC Namepotassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane
SMILESCC.CCC1(CCN(C)C)CN(CC[NH-])C1.[K+]
InChIInChI=1S/C11H24N3.C2H6.K/c1-4-11(5-7-13(2)3)9-14(10-11)8-6-12;1-2;/h12H,4-10H2,1-3H3;1-2H3;/q-1;;+1
InChIKeyIRGALIHMRKQCNJ-UHFFFAOYSA-N
XLogP-0.27
TPSA30.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane?
The IUPAC name of potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane (CID 178034658) is potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane.
What is the SMILES notation for potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane?
The canonical SMILES for potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane is CC.CCC1(CCN(C)C)CN(CC[NH-])C1.[K+].
What is the InChIKey of potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane?
The InChIKey is IRGALIHMRKQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3.C2H6.K/c1-4-11(5-7-13(2)3)9-14(10-11)8-6-12;1-2;/h12H,4-10H2,1-3H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane?
potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane has a molecular weight of 267.50 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[3-[2-(dimethylamino)ethyl]-3-ethylazetidin-1-yl]ethylazanide;ethane is sourced from PubChem (CID 178034658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).