N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide

C15H25N2O+ — CID 67882668

IUPACN-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide
SMILESCC(C)CNC(=O)CCCCC[n+]1ccccc1
InChIInChI=1S/C15H24N2O/c1-14(2)13-16-15(18)9-5-3-6-10-17-11-7-4-8-12-17/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3/p+1
InChIKeyBFBXIXJCDPDJPC-UHFFFAOYSA-O
MW249.38 g/mol
LogP2.31
Rot. Bonds8

About N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide

N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide (PubChem CID 67882668) has the molecular formula C15H25N2O+ and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide
PubChem CID67882668
Molecular FormulaC15H25N2O+
Molecular Weight249.38 g/mol
Exact Mass249.20
IUPAC NameN-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide
SMILESCC(C)CNC(=O)CCCCC[n+]1ccccc1
InChIInChI=1S/C15H24N2O/c1-14(2)13-16-15(18)9-5-3-6-10-17-11-7-4-8-12-17/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3/p+1
InChIKeyBFBXIXJCDPDJPC-UHFFFAOYSA-O
XLogP2.31
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3-methyl-1-[12-[[(2S)-3-methyl-2-(11-pyridin-1-ium-1-ylundecanoylamino)butanoyl]amino]dodecylamino]-1-oxobutan-2-yl]-11-pyridin-1-ium-1-ylundecanamide
CID 102302103
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-[(2R)-3-methyl-1-(octadecylamino)-1-oxobutan-2-yl]-11-pyridin-1-ium-1-ylundecanamide
CID 132839555
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
ethyl (2S)-6-(decanoylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoate
CID 102223387
11-pyridin-1-ium-1-ylundecan-2-yl (2S)-6-(dodecanoylamino)-2-(hexanoylamino)hexanoate
CID 101258188
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide?
The IUPAC name of N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide (CID 67882668) is N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide.
What is the SMILES notation for N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide?
The canonical SMILES for N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide is CC(C)CNC(=O)CCCCC[n+]1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide?
The InChIKey is BFBXIXJCDPDJPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O/c1-14(2)13-16-15(18)9-5-3-6-10-17-11-7-4-8-12-17/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3/p+1.
What are the key properties of N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide?
N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide has a molecular weight of 249.38 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-pyridin-1-ium-1-ylhexanamide is sourced from PubChem (CID 67882668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).