N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine

C18H32N2O — CID 81254026

IUPACN-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCCC(CC)COc1cc(C)ncc1CNCCC
InChIInChI=1S/C18H32N2O/c1-5-8-9-16(7-3)14-21-18-11-15(4)20-13-17(18)12-19-10-6-2/h11,13,16,19H,5-10,12,14H2,1-4H3
InChIKeyFHQLPYLOFOZUNW-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.48
Rot. Bonds11

About N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81254026) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID81254026
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCCC(CC)COc1cc(C)ncc1CNCCC
InChIInChI=1S/C18H32N2O/c1-5-8-9-16(7-3)14-21-18-11-15(4)20-13-17(18)12-19-10-6-2/h11,13,16,19H,5-10,12,14H2,1-4H3
InChIKeyFHQLPYLOFOZUNW-UHFFFAOYSA-N
XLogP4.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.48
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-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82792176
N-[(6-methyl-4-pent-4-enoxy-3-pyridinyl)methyl]propan-1-amine
CID 81250411
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050477
N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116793446
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine (CID 81254026) is N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is CCCCC(CC)COc1cc(C)ncc1CNCCC.
What is the InChIKey of N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is FHQLPYLOFOZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-8-9-16(7-3)14-21-18-11-15(4)20-13-17(18)12-19-10-6-2/h11,13,16,19H,5-10,12,14H2,1-4H3.
What are the key properties of N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81254026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).