1-(dimethylamino)propyl-trimethylazanium

C8H21N2+ — CID 87382097

IUPAC1-(dimethylamino)propyl-trimethylazanium
SMILESCCC(N(C)C)[N+](C)(C)C
InChIInChI=1S/C8H21N2/c1-7-8(9(2)3)10(4,5)6/h8H,7H2,1-6H3/q+1
InChIKeyMLAWJCZTDMTIHK-UHFFFAOYSA-N
MW145.27 g/mol
LogP0.99
Rot. Bonds3

About 1-(dimethylamino)propyl-trimethylazanium

1-(dimethylamino)propyl-trimethylazanium (PubChem CID 87382097) has the molecular formula C8H21N2+ and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-(dimethylamino)propyl-trimethylazanium.

Molecular Properties

Compound Name1-(dimethylamino)propyl-trimethylazanium
PubChem CID87382097
Molecular FormulaC8H21N2+
Molecular Weight145.27 g/mol
Exact Mass145.17
IUPAC Name1-(dimethylamino)propyl-trimethylazanium
SMILESCCC(N(C)C)[N+](C)(C)C
InChIInChI=1S/C8H21N2/c1-7-8(9(2)3)10(4,5)6/h8H,7H2,1-6H3/q+1
InChIKeyMLAWJCZTDMTIHK-UHFFFAOYSA-N
XLogP0.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)ethyl-ethyl-dimethylazanium
CID 126581656
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
1-(dimethylaminooxy)propyl-trimethylazanium;chloride;hydrochloride
CID 174585698
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
CID 174688160
1-methoxy-N,N,2-trimethylbutan-1-amine
CID 91572935
2-(dimethylamino)butanoic acid;2-(trimethylazaniumyl)butanoate
CID 159913511
ethyl-dimethyl-propan-2-yloxyazanium
CID 175365440
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
trimethyl(1-trimethylsilylpropyl)azanium
CID 19767292
1-N',1-N'-diiodo-1-N,1-N-dimethylpropane-1,1-diamine
CID 175405090
1-fluoro-N,N-dimethylpropan-2-amine
CID 123355722

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propyl-trimethylazanium?
The IUPAC name of 1-(dimethylamino)propyl-trimethylazanium (CID 87382097) is 1-(dimethylamino)propyl-trimethylazanium.
What is the SMILES notation for 1-(dimethylamino)propyl-trimethylazanium?
The canonical SMILES for 1-(dimethylamino)propyl-trimethylazanium is CCC(N(C)C)[N+](C)(C)C.
What is the InChIKey of 1-(dimethylamino)propyl-trimethylazanium?
The InChIKey is MLAWJCZTDMTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2/c1-7-8(9(2)3)10(4,5)6/h8H,7H2,1-6H3/q+1.
What are the key properties of 1-(dimethylamino)propyl-trimethylazanium?
1-(dimethylamino)propyl-trimethylazanium has a molecular weight of 145.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propyl-trimethylazanium is sourced from PubChem (CID 87382097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).