butyl(pyridin-2-ylmethyl)azanium

C10H17N2+ — CID 40508011

IUPACbutyl(pyridin-2-ylmethyl)azanium
SMILESCCCC[NH2+]Cc1ccccn1
InChIInChI=1S/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3/p+1
InChIKeyYIHVRGYQUTZXNL-UHFFFAOYSA-O
MW165.26 g/mol
LogP0.95
Rot. Bonds5

About butyl(pyridin-2-ylmethyl)azanium

butyl(pyridin-2-ylmethyl)azanium (PubChem CID 40508011) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is butyl(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Namebutyl(pyridin-2-ylmethyl)azanium
PubChem CID40508011
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Namebutyl(pyridin-2-ylmethyl)azanium
SMILESCCCC[NH2+]Cc1ccccn1
InChIInChI=1S/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3/p+1
InChIKeyYIHVRGYQUTZXNL-UHFFFAOYSA-O
XLogP0.95
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-undecylpyridine
CID 66882765
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
2-tetradecylpyridine;hydrochloride
CID 45489746
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-hexadecylpyridine;hydrate
CID 141211108
oxido(pyridin-2-ylmethyl)azanium
CID 87207811
azanium;2-tetradecylpyridine;bromide
CID 157411341
1-chlorotetradecane;2-ethylpyridine
CID 160860410
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497

Frequently Asked Questions

What is the IUPAC name of butyl(pyridin-2-ylmethyl)azanium?
The IUPAC name of butyl(pyridin-2-ylmethyl)azanium (CID 40508011) is butyl(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for butyl(pyridin-2-ylmethyl)azanium?
The canonical SMILES for butyl(pyridin-2-ylmethyl)azanium is CCCC[NH2+]Cc1ccccn1.
What is the InChIKey of butyl(pyridin-2-ylmethyl)azanium?
The InChIKey is YIHVRGYQUTZXNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N2/c1-2-3-7-11-9-10-6-4-5-8-12-10/h4-6,8,11H,2-3,7,9H2,1H3/p+1.
What are the key properties of butyl(pyridin-2-ylmethyl)azanium?
butyl(pyridin-2-ylmethyl)azanium has a molecular weight of 165.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 40508011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).