(1-butylpyridin-1-ium-4-yl)methanamine

C10H17N2+ — CID 91902595

IUPAC(1-butylpyridin-1-ium-4-yl)methanamine
SMILESCCCC[n+]1ccc(CN)cc1
InChIInChI=1S/C10H17N2/c1-2-3-6-12-7-4-10(9-11)5-8-12/h4-5,7-8H,2-3,6,9,11H2,1H3/q+1
InChIKeySYDOMZCVNMSZLZ-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.23
Rot. Bonds4

About (1-butylpyridin-1-ium-4-yl)methanamine

(1-butylpyridin-1-ium-4-yl)methanamine (PubChem CID 91902595) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is (1-butylpyridin-1-ium-4-yl)methanamine.

Molecular Properties

Compound Name(1-butylpyridin-1-ium-4-yl)methanamine
PubChem CID91902595
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Name(1-butylpyridin-1-ium-4-yl)methanamine
SMILESCCCC[n+]1ccc(CN)cc1
InChIInChI=1S/C10H17N2/c1-2-3-6-12-7-4-10(9-11)5-8-12/h4-5,7-8H,2-3,6,9,11H2,1H3/q+1
InChIKeySYDOMZCVNMSZLZ-UHFFFAOYSA-N
XLogP1.23
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-tetradecylpyridin-1-ium-4-yl)methanamine;chloride;hydrochloride
CID 153409280
1-butyl-4-pentylpyridin-1-ium
CID 69385762
1-pentyl-4-propylpyridin-1-ium
CID 69394623
1-butyl-4-chloropyridin-1-ium
CID 139697464
1-octyl-4-propylpyridin-1-ium
CID 18377811
1-octadecyl-4-octylpyridin-1-ium
CID 69390260
4-decyl-1-nonadecylpyridin-1-ium
CID 69394028
4-dodecyl-1-pentylpyridin-1-ium
CID 69391900
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587
1-hexadecyl-4-propylpyridin-1-ium
CID 69389334

Frequently Asked Questions

What is the IUPAC name of (1-butylpyridin-1-ium-4-yl)methanamine?
The IUPAC name of (1-butylpyridin-1-ium-4-yl)methanamine (CID 91902595) is (1-butylpyridin-1-ium-4-yl)methanamine.
What is the SMILES notation for (1-butylpyridin-1-ium-4-yl)methanamine?
The canonical SMILES for (1-butylpyridin-1-ium-4-yl)methanamine is CCCC[n+]1ccc(CN)cc1.
What is the InChIKey of (1-butylpyridin-1-ium-4-yl)methanamine?
The InChIKey is SYDOMZCVNMSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2/c1-2-3-6-12-7-4-10(9-11)5-8-12/h4-5,7-8H,2-3,6,9,11H2,1H3/q+1.
What are the key properties of (1-butylpyridin-1-ium-4-yl)methanamine?
(1-butylpyridin-1-ium-4-yl)methanamine has a molecular weight of 165.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpyridin-1-ium-4-yl)methanamine is sourced from PubChem (CID 91902595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).