N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine

C14H24N2O — CID 81255386

IUPACN-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
SMILESCCCCCCOc1ccncc1CNCC
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-10-17-14-8-9-16-12-13(14)11-15-4-2/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyBZUJSDARTRRWOD-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds9

About N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine

N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 81255386) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
PubChem CID81255386
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
SMILESCCCCCCOc1ccncc1CNCC
InChIInChI=1S/C14H24N2O/c1-3-5-6-7-10-17-14-8-9-16-12-13(14)11-15-4-2/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyBZUJSDARTRRWOD-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
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-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
4-octoxypyridine-3-carboxylic acid
CID 81226157
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115505732
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777

Frequently Asked Questions

What is the IUPAC name of N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine (CID 81255386) is N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine is CCCCCCOc1ccncc1CNCC.
What is the InChIKey of N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is BZUJSDARTRRWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-6-7-10-17-14-8-9-16-12-13(14)11-15-4-2/h8-9,12,15H,3-7,10-11H2,1-2H3.
What are the key properties of N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine?
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81255386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).