N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine

C15H26N2O — CID 81254555

IUPACN-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1OCCC(C)C
InChIInChI=1S/C15H26N2O/c1-5-7-16-10-14-11-17-13(4)9-15(14)18-8-6-12(2)3/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyCJDXIUQXSFJTMB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.31
Rot. Bonds8

About N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81254555) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81254555
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1OCCC(C)C
InChIInChI=1S/C15H26N2O/c1-5-7-16-10-14-11-17-13(4)9-15(14)18-8-6-12(2)3/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyCJDXIUQXSFJTMB-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-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-methyl-1-[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methanamine
CID 81254987
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82792176
2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81255353
N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250411
N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254026
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
2-methyl-N-[[6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115942783

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81254555) is N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1OCCC(C)C.
What is the InChIKey of N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is CJDXIUQXSFJTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-16-10-14-11-17-13(4)9-15(14)18-8-6-12(2)3/h9,11-12,16H,5-8,10H2,1-4H3.
What are the key properties of N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-4-(3-methylbutoxy)-3-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-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81254555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).