N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine

C10H17N2+ — CID 152858775

IUPACN-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc[n+](C)c1
InChIInChI=1S/C10H17N2/c1-9(2)11-7-10-5-4-6-12(3)8-10/h4-6,8-9,11H,7H2,1-3H3/q+1
InChIKeyFXLNVGCLFFSLMP-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.01
Rot. Bonds3

About N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine

N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine (PubChem CID 152858775) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine
PubChem CID152858775
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC NameN-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc[n+](C)c1
InChIInChI=1S/C10H17N2/c1-9(2)11-7-10-5-4-6-12(3)8-10/h4-6,8-9,11H,7H2,1-3H3/q+1
InChIKeyFXLNVGCLFFSLMP-UHFFFAOYSA-N
XLogP1.01
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.01
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

N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
2-(1-hydroxyethyl)-5-[(1-methylpyridin-1-ium-3-yl)methylamino]phenol
CID 22660279
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
(2S)-2-amino-3-(1-methylpyridin-1-ium-3-yl)propanoic acid
CID 5289207
N-[(3-diphenylphosphanylphenyl)methyl]propan-2-amine
CID 102047122
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
N-[[4-[(methylsulfanylamino)methyl]phenyl]methyl]propan-2-amine
CID 142585436
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine (CID 152858775) is N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine is CC(C)NCc1ccc[n+](C)c1.
What is the InChIKey of N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine?
The InChIKey is FXLNVGCLFFSLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2/c1-9(2)11-7-10-5-4-6-12(3)8-10/h4-6,8-9,11H,7H2,1-3H3/q+1.
What are the key properties of N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine?
N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine has a molecular weight of 165.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyridin-1-ium-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 152858775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).