N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

C16H28N2O — CID 62290039

IUPACN-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCCOc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O/c1-5-6-7-8-11-19-15-10-9-14(12-17-15)13-18-16(2,3)4/h9-10,12,18H,5-8,11,13H2,1-4H3
InChIKeyIQPZCXIHXDDNGU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.93
Rot. Bonds8

About N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 62290039) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID62290039
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCCOc1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N2O/c1-5-6-7-8-11-19-15-10-9-14(12-17-15)13-18-16(2,3)4/h9-10,12,18H,5-8,11,13H2,1-4H3
InChIKeyIQPZCXIHXDDNGU-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.93
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

2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62292186
2-methyl-N-[[6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289979
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-methyl-N-[[6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291299
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
2-methyl-N-[[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291494
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
5-(4-ethylphenyl)-2-pentoxypyridine
CID 138716515
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
1-tert-butyl-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111547106
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668

Frequently Asked Questions

What is the IUPAC name of N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (CID 62290039) is N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is CCCCCCOc1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is IQPZCXIHXDDNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-6-7-8-11-19-15-10-9-14(12-17-15)13-18-16(2,3)4/h9-10,12,18H,5-8,11,13H2,1-4H3.
What are the key properties of N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62290039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).