2-[methyl(propyl)amino]ethylazanium

C6H17N2+ — CID 154557311

IUPAC2-[methyl(propyl)amino]ethylazanium
SMILESCCCN(C)CC[NH3+]
InChIInChI=1S/C6H16N2/c1-3-5-8(2)6-4-7/h3-7H2,1-2H3/p+1
InChIKeyMEZKKZTWNNWYBQ-UHFFFAOYSA-O
MW117.22 g/mol
LogP-0.43
Rot. Bonds4

About 2-[methyl(propyl)amino]ethylazanium

2-[methyl(propyl)amino]ethylazanium (PubChem CID 154557311) has the molecular formula C6H17N2+ and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]ethylazanium.

Molecular Properties

Compound Name2-[methyl(propyl)amino]ethylazanium
PubChem CID154557311
Molecular FormulaC6H17N2+
Molecular Weight117.22 g/mol
Exact Mass117.14
IUPAC Name2-[methyl(propyl)amino]ethylazanium
SMILESCCCN(C)CC[NH3+]
InChIInChI=1S/C6H16N2/c1-3-5-8(2)6-4-7/h3-7H2,1-2H3/p+1
InChIKeyMEZKKZTWNNWYBQ-UHFFFAOYSA-O
XLogP-0.43
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
N-methyl-N-propylpropan-1-amine
CID 136915966
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N-methyl-N-propyldecan-1-amine
CID 13122225
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
CID 143556008

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]ethylazanium?
The IUPAC name of 2-[methyl(propyl)amino]ethylazanium (CID 154557311) is 2-[methyl(propyl)amino]ethylazanium.
What is the SMILES notation for 2-[methyl(propyl)amino]ethylazanium?
The canonical SMILES for 2-[methyl(propyl)amino]ethylazanium is CCCN(C)CC[NH3+].
What is the InChIKey of 2-[methyl(propyl)amino]ethylazanium?
The InChIKey is MEZKKZTWNNWYBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N2/c1-3-5-8(2)6-4-7/h3-7H2,1-2H3/p+1.
What are the key properties of 2-[methyl(propyl)amino]ethylazanium?
2-[methyl(propyl)amino]ethylazanium has a molecular weight of 117.22 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]ethylazanium is sourced from PubChem (CID 154557311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).