N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine

C11H18N2 — CID 80708848

IUPACN-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(C)cn1
InChIInChI=1S/C11H18N2/c1-3-4-7-12-9-11-6-5-10(2)8-13-11/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyKWOFQFIUEFEEBD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds5

About N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine

N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine (PubChem CID 80708848) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
PubChem CID80708848
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(C)cn1
InChIInChI=1S/C11H18N2/c1-3-4-7-12-9-11-6-5-10(2)8-13-11/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyKWOFQFIUEFEEBD-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 80708453
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
N-[[5-(ethoxymethyl)-2-pyridinyl]methyl]butan-1-amine
CID 143966477
2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 115698947
N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 80709456
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
N-[[9-(butylaminomethyl)-1,10-phenanthrolin-2-yl]methyl]butan-1-amine
CID 15510833

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine (CID 80708848) is N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine is CCCCNCc1ccc(C)cn1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
The InChIKey is KWOFQFIUEFEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-7-12-9-11-6-5-10(2)8-13-11/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 80708848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).