N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine

C13H21N2+ — CID 89155864

IUPACN-pentyl-1-prop-2-enylpyridin-1-ium-2-amine
SMILESC=CC[n+]1ccccc1NCCCCC
InChIInChI=1S/C13H20N2/c1-3-5-7-10-14-13-9-6-8-12-15(13)11-4-2/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3/p+1
InChIKeyHHSLVSYAIIJKSQ-UHFFFAOYSA-O
MW205.33 g/mol
LogP2.76
Rot. Bonds7

About N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine

N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine (PubChem CID 89155864) has the molecular formula C13H21N2+ and a molecular weight of 205.33 g/mol. Its IUPAC name is N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-pentyl-1-prop-2-enylpyridin-1-ium-2-amine
PubChem CID89155864
Molecular FormulaC13H21N2+
Molecular Weight205.33 g/mol
Exact Mass205.17
IUPAC NameN-pentyl-1-prop-2-enylpyridin-1-ium-2-amine
SMILESC=CC[n+]1ccccc1NCCCCC
InChIInChI=1S/C13H20N2/c1-3-5-7-10-14-13-9-6-8-12-15(13)11-4-2/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3/p+1
InChIKeyHHSLVSYAIIJKSQ-UHFFFAOYSA-O
XLogP2.76
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-2-tetradecylpyridin-1-ium bromide
CID 70630635
2-methyl-1-prop-2-enylpyridin-1-ium chloride
CID 68658973
1-dodecyl-2-ethenylpyridin-1-ium;trihydrobromide
CID 174628821
1-butyl-2-ethenylpyridin-1-ium bromide
CID 23440086
1-butyl-2-ethenylpyridin-1-ium chloride
CID 70255024
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-ethenyl-1-prop-2-enylpyridin-1-ium chloride
CID 67067148
1-butyl-2-ethenylpyridin-1-ium;methanol;iodide
CID 70476767
N-nonadecylaniline
CID 54509054
methanesulfonic acid;2-methyl-1-pentylpyridin-1-ium
CID 175583407
(1-tridecylpyridin-1-ium-2-yl) prop-2-enoate bromide
CID 158966140
N-heptylaniline;hydrate
CID 174886464

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine?
The IUPAC name of N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine (CID 89155864) is N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine.
What is the SMILES notation for N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine?
The canonical SMILES for N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine is C=CC[n+]1ccccc1NCCCCC.
What is the InChIKey of N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine?
The InChIKey is HHSLVSYAIIJKSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2/c1-3-5-7-10-14-13-9-6-8-12-15(13)11-4-2/h4,6,8-9,12H,2-3,5,7,10-11H2,1H3/p+1.
What are the key properties of N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine?
N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine has a molecular weight of 205.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-prop-2-enylpyridin-1-ium-2-amine is sourced from PubChem (CID 89155864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).