2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride

C16H23ClN3+ — CID 23616715

IUPAC2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride
SMILESC[N+](C)(CCNCc1ccccc1)c1ccccn1.Cl
InChIInChI=1S/C16H22N3.ClH/c1-19(2,16-10-6-7-11-18-16)13-12-17-14-15-8-4-3-5-9-15;/h3-11,17H,12-14H2,1-2H3;1H/q+1;
InChIKeySJHDDLATCDWPJK-UHFFFAOYSA-N
MW292.83 g/mol
LogP2.86
Rot. Bonds6

About 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride

2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride (PubChem CID 23616715) has the molecular formula C16H23ClN3+ and a molecular weight of 292.83 g/mol. Its IUPAC name is 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride
PubChem CID23616715
Molecular FormulaC16H23ClN3+
Molecular Weight292.83 g/mol
Exact Mass292.16
IUPAC Name2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride
SMILESC[N+](C)(CCNCc1ccccc1)c1ccccn1.Cl
InChIInChI=1S/C16H22N3.ClH/c1-19(2,16-10-6-7-11-18-16)13-12-17-14-15-8-4-3-5-9-15;/h3-11,17H,12-14H2,1-2H3;1H/q+1;
InChIKeySJHDDLATCDWPJK-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-N'-trimethoxysilylethane-1,2-diamine
CID 174059025
N-benzylethanamine;tris(yttrium)
CID 158198357
CID 174448743
CID 174448743
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 159589094
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride?
The IUPAC name of 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride (CID 23616715) is 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride.
What is the SMILES notation for 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride?
The canonical SMILES for 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride is C[N+](C)(CCNCc1ccccc1)c1ccccn1.Cl.
What is the InChIKey of 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride?
The InChIKey is SJHDDLATCDWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3.ClH/c1-19(2,16-10-6-7-11-18-16)13-12-17-14-15-8-4-3-5-9-15;/h3-11,17H,12-14H2,1-2H3;1H/q+1;.
What are the key properties of 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride?
2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)ethyl-dimethyl-pyridin-2-ylazanium;hydrochloride is sourced from PubChem (CID 23616715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).