N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine

C15H26N2O — CID 79150680

IUPACN-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCCC(C)C
InChIInChI=1S/C15H26N2O/c1-5-9-16-11-14-15(7-6-13(4)17-14)18-10-8-12(2)3/h6-7,12,16H,5,8-11H2,1-4H3
InChIKeyAUTFHEUZUTVEKF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.31
Rot. Bonds8

About N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79150680) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID79150680
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCCC(C)C
InChIInChI=1S/C15H26N2O/c1-5-9-16-11-14-15(7-6-13(4)17-14)18-10-8-12(2)3/h6-7,12,16H,5,8-11H2,1-4H3
InChIKeyAUTFHEUZUTVEKF-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine (CID 79150680) is N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(C)ccc1OCCC(C)C.
What is the InChIKey of N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is AUTFHEUZUTVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-9-16-11-14-15(7-6-13(4)17-14)18-10-8-12(2)3/h6-7,12,16H,5,8-11H2,1-4H3.
What are the key properties of N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79150680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).