1-aminopropan-2-yl-dimethyl-propylazanium

C8H21N2+ — CID 123318455

IUPAC1-aminopropan-2-yl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)C(C)CN
InChIInChI=1S/C8H21N2/c1-5-6-10(3,4)8(2)7-9/h8H,5-7,9H2,1-4H3/q+1
InChIKeyCKBRQBGHZJATEJ-UHFFFAOYSA-N
MW145.27 g/mol
LogP0.82
Rot. Bonds4

About 1-aminopropan-2-yl-dimethyl-propylazanium

1-aminopropan-2-yl-dimethyl-propylazanium (PubChem CID 123318455) has the molecular formula C8H21N2+ and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-aminopropan-2-yl-dimethyl-propylazanium.

Molecular Properties

Compound Name1-aminopropan-2-yl-dimethyl-propylazanium
PubChem CID123318455
Molecular FormulaC8H21N2+
Molecular Weight145.27 g/mol
Exact Mass145.17
IUPAC Name1-aminopropan-2-yl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)C(C)CN
InChIInChI=1S/C8H21N2/c1-5-6-10(3,4)8(2)7-9/h8H,5-7,9H2,1-4H3/q+1
InChIKeyCKBRQBGHZJATEJ-UHFFFAOYSA-N
XLogP0.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-aminopropan-2-yl(trimethyl)azanium
CID 22491691
1-methoxyethyl-dimethyl-propylazanium
CID 87324332
butyl-dimethyl-pentan-2-ylazanium
CID 123184718
decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
antimony(3+);tetrapropylazanium
CID 18954503
1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
CID 174688160
fluoroform;trimethyl(propyl)azanium
CID 87248213
potassium;sodium;tetramethylazanium;tetrapropylazanium;tetrahydroxide
CID 156636442

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl-dimethyl-propylazanium?
The IUPAC name of 1-aminopropan-2-yl-dimethyl-propylazanium (CID 123318455) is 1-aminopropan-2-yl-dimethyl-propylazanium.
What is the SMILES notation for 1-aminopropan-2-yl-dimethyl-propylazanium?
The canonical SMILES for 1-aminopropan-2-yl-dimethyl-propylazanium is CCC[N+](C)(C)C(C)CN.
What is the InChIKey of 1-aminopropan-2-yl-dimethyl-propylazanium?
The InChIKey is CKBRQBGHZJATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2/c1-5-6-10(3,4)8(2)7-9/h8H,5-7,9H2,1-4H3/q+1.
What are the key properties of 1-aminopropan-2-yl-dimethyl-propylazanium?
1-aminopropan-2-yl-dimethyl-propylazanium has a molecular weight of 145.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl-dimethyl-propylazanium is sourced from PubChem (CID 123318455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).