bis(azetidin-3-ylmethyl)-methylazanium;propane

C12H28N3+ — CID 162384419

IUPACbis(azetidin-3-ylmethyl)-methylazanium;propane
SMILESCCC.C[NH+](CC1CNC1)CC1CNC1
InChIInChI=1S/C9H19N3.C3H8/c1-12(6-8-2-10-3-8)7-9-4-11-5-9;1-3-2/h8-11H,2-7H2,1H3;3H2,1-2H3/p+1
InChIKeyXBCJMNBLIMFBMM-UHFFFAOYSA-O
MW214.38 g/mol
LogP-0.64
Rot. Bonds4

About bis(azetidin-3-ylmethyl)-methylazanium;propane

bis(azetidin-3-ylmethyl)-methylazanium;propane (PubChem CID 162384419) has the molecular formula C12H28N3+ and a molecular weight of 214.38 g/mol. Its IUPAC name is bis(azetidin-3-ylmethyl)-methylazanium;propane.

Molecular Properties

Compound Namebis(azetidin-3-ylmethyl)-methylazanium;propane
PubChem CID162384419
Molecular FormulaC12H28N3+
Molecular Weight214.38 g/mol
Exact Mass214.23
IUPAC Namebis(azetidin-3-ylmethyl)-methylazanium;propane
SMILESCCC.C[NH+](CC1CNC1)CC1CNC1
InChIInChI=1S/C9H19N3.C3H8/c1-12(6-8-2-10-3-8)7-9-4-11-5-9;1-3-2/h8-11H,2-7H2,1H3;3H2,1-2H3/p+1
InChIKeyXBCJMNBLIMFBMM-UHFFFAOYSA-O
XLogP-0.64
TPSA28.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(azetidin-3-ylmethyl)-methylazanium;propane?
The IUPAC name of bis(azetidin-3-ylmethyl)-methylazanium;propane (CID 162384419) is bis(azetidin-3-ylmethyl)-methylazanium;propane.
What is the SMILES notation for bis(azetidin-3-ylmethyl)-methylazanium;propane?
The canonical SMILES for bis(azetidin-3-ylmethyl)-methylazanium;propane is CCC.C[NH+](CC1CNC1)CC1CNC1.
What is the InChIKey of bis(azetidin-3-ylmethyl)-methylazanium;propane?
The InChIKey is XBCJMNBLIMFBMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19N3.C3H8/c1-12(6-8-2-10-3-8)7-9-4-11-5-9;1-3-2/h8-11H,2-7H2,1H3;3H2,1-2H3/p+1.
What are the key properties of bis(azetidin-3-ylmethyl)-methylazanium;propane?
bis(azetidin-3-ylmethyl)-methylazanium;propane has a molecular weight of 214.38 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azetidin-3-ylmethyl)-methylazanium;propane is sourced from PubChem (CID 162384419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).