3-aminopropyl(trimethyl)azanium;hydrochloride

C6H18ClN2+ — CID 173485800

IUPAC3-aminopropyl(trimethyl)azanium;hydrochloride
SMILESC[N+](C)(C)CCCN.Cl
InChIInChI=1S/C6H17N2.ClH/c1-8(2,3)6-4-5-7;/h4-7H2,1-3H3;1H/q+1;
InChIKeySLCCHLCXVOABIB-UHFFFAOYSA-N
MW153.68 g/mol
LogP0.46
Rot. Bonds3

About 3-aminopropyl(trimethyl)azanium;hydrochloride

3-aminopropyl(trimethyl)azanium;hydrochloride (PubChem CID 173485800) has the molecular formula C6H18ClN2+ and a molecular weight of 153.68 g/mol. Its IUPAC name is 3-aminopropyl(trimethyl)azanium;hydrochloride.

Molecular Properties

Compound Name3-aminopropyl(trimethyl)azanium;hydrochloride
PubChem CID173485800
Molecular FormulaC6H18ClN2+
Molecular Weight153.68 g/mol
Exact Mass153.12
IUPAC Name3-aminopropyl(trimethyl)azanium;hydrochloride
SMILESC[N+](C)(C)CCCN.Cl
InChIInChI=1S/C6H17N2.ClH/c1-8(2,3)6-4-5-7;/h4-7H2,1-3H3;1H/q+1;
InChIKeySLCCHLCXVOABIB-UHFFFAOYSA-N
XLogP0.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 50.46
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

17-aminoheptadecyl(trimethyl)azanium
CID 155769924
19-aminononadecyl(trimethyl)azanium
CID 155769982
14-aminotetradecyl(trimethyl)azanium
CID 155769967
15-aminopentadecyl(trimethyl)azanium
CID 155769921
12-aminododecyl(trimethyl)azanium;azane;hydrate
CID 174892223
bis(3-aminopropyl)-dimethylazanium;chloride;dihydrochloride
CID 86656190
bis(3-aminopropyl)-[4-[bis(3-aminopropyl)-methylazaniumyl]butyl]-methylazanium
CID 140942989
3-[4-(3-aminopropylamino)butylamino]propyl-trimethylazanium
CID 23598314
3-aminopropyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 140851931
2-aminoethyl(trimethyl)azanium hydroxide
CID 23084973
bis(3-aminopropyl(trimethyl)azanium);2-methylprop-2-enoate;chloride
CID 160769197
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(trimethyl)azanium;hydrochloride?
The IUPAC name of 3-aminopropyl(trimethyl)azanium;hydrochloride (CID 173485800) is 3-aminopropyl(trimethyl)azanium;hydrochloride.
What is the SMILES notation for 3-aminopropyl(trimethyl)azanium;hydrochloride?
The canonical SMILES for 3-aminopropyl(trimethyl)azanium;hydrochloride is C[N+](C)(C)CCCN.Cl.
What is the InChIKey of 3-aminopropyl(trimethyl)azanium;hydrochloride?
The InChIKey is SLCCHLCXVOABIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2.ClH/c1-8(2,3)6-4-5-7;/h4-7H2,1-3H3;1H/q+1;.
What are the key properties of 3-aminopropyl(trimethyl)azanium;hydrochloride?
3-aminopropyl(trimethyl)azanium;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(trimethyl)azanium;hydrochloride is sourced from PubChem (CID 173485800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).