1-aminopentan-2-yl(trimethyl)azanium;hydrochloride

C8H22ClN2+ — CID 174688160

IUPAC1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
SMILESCCCC(CN)[N+](C)(C)C.Cl
InChIInChI=1S/C8H21N2.ClH/c1-5-6-8(7-9)10(2,3)4;/h8H,5-7,9H2,1-4H3;1H/q+1;
InChIKeyFMQUPVHINLTWMN-UHFFFAOYSA-N
MW181.73 g/mol
LogP1.24
Rot. Bonds4

About 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride

1-aminopentan-2-yl(trimethyl)azanium;hydrochloride (PubChem CID 174688160) has the molecular formula C8H22ClN2+ and a molecular weight of 181.73 g/mol. Its IUPAC name is 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride.

Molecular Properties

Compound Name1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
PubChem CID174688160
Molecular FormulaC8H22ClN2+
Molecular Weight181.73 g/mol
Exact Mass181.15
IUPAC Name1-aminopentan-2-yl(trimethyl)azanium;hydrochloride
SMILESCCCC(CN)[N+](C)(C)C.Cl
InChIInChI=1S/C8H21N2.ClH/c1-5-6-8(7-9)10(2,3)4;/h8H,5-7,9H2,1-4H3;1H/q+1;
InChIKeyFMQUPVHINLTWMN-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride?
The IUPAC name of 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride (CID 174688160) is 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride.
What is the SMILES notation for 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride?
The canonical SMILES for 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride is CCCC(CN)[N+](C)(C)C.Cl.
What is the InChIKey of 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride?
The InChIKey is FMQUPVHINLTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2.ClH/c1-5-6-8(7-9)10(2,3)4;/h8H,5-7,9H2,1-4H3;1H/q+1;.
What are the key properties of 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride?
1-aminopentan-2-yl(trimethyl)azanium;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentan-2-yl(trimethyl)azanium;hydrochloride is sourced from PubChem (CID 174688160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).