dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium

C14H26N2+2 — CID 2059255

IUPACdimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium
SMILESC[C@@H](C[NH+](C)CC[NH+](C)C)c1ccccc1
InChIInChI=1S/C14H24N2/c1-13(14-8-6-5-7-9-14)12-16(4)11-10-15(2)3/h5-9,13H,10-12H2,1-4H3/p+2/t13-/m0/s1
InChIKeyYISCYAIBGTUTPT-ZDUSSCGKSA-P
MW222.38 g/mol
LogP-0.55
Rot. Bonds6

About dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium

dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium (PubChem CID 2059255) has the molecular formula C14H26N2+2 and a molecular weight of 222.38 g/mol. Its IUPAC name is dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium
PubChem CID2059255
Molecular FormulaC14H26N2+2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Namedimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium
SMILESC[C@@H](C[NH+](C)CC[NH+](C)C)c1ccccc1
InChIInChI=1S/C14H24N2/c1-13(14-8-6-5-7-9-14)12-16(4)11-10-15(2)3/h5-9,13H,10-12H2,1-4H3/p+2/t13-/m0/s1
InChIKeyYISCYAIBGTUTPT-ZDUSSCGKSA-P
XLogP-0.55
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium?
The IUPAC name of dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium (CID 2059255) is dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium is C[C@@H](C[NH+](C)CC[NH+](C)C)c1ccccc1.
What is the InChIKey of dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium?
The InChIKey is YISCYAIBGTUTPT-ZDUSSCGKSA-P. The full InChI is InChI=1S/C14H24N2/c1-13(14-8-6-5-7-9-14)12-16(4)11-10-15(2)3/h5-9,13H,10-12H2,1-4H3/p+2/t13-/m0/s1.
What are the key properties of dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium?
dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium has a molecular weight of 222.38 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl-[(2R)-2-phenylpropyl]azaniumyl]ethyl]azanium is sourced from PubChem (CID 2059255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).