N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine

C16H28N2O — CID 55058295

IUPACN-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCOc1cccc(CNCC(C)C)n1
InChIInChI=1S/C16H28N2O/c1-4-5-6-7-11-19-16-10-8-9-15(18-16)13-17-12-14(2)3/h8-10,14,17H,4-7,11-13H2,1-3H3
InChIKeyBJLXKZGUESVJRB-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.79
Rot. Bonds10

About N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 55058295) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID55058295
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCOc1cccc(CNCC(C)C)n1
InChIInChI=1S/C16H28N2O/c1-4-5-6-7-11-19-16-10-8-9-15(18-16)13-17-12-14(2)3/h8-10,14,17H,4-7,11-13H2,1-3H3
InChIKeyBJLXKZGUESVJRB-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.79
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-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
2-methyl-N-[(5-octoxypyrazin-2-yl)methyl]propan-1-amine
CID 107381539
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232

Frequently Asked Questions

What is the IUPAC name of N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine (CID 55058295) is N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine is CCCCCCOc1cccc(CNCC(C)C)n1.
What is the InChIKey of N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is BJLXKZGUESVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-6-7-11-19-16-10-8-9-15(18-16)13-17-12-14(2)3/h8-10,14,17H,4-7,11-13H2,1-3H3.
What are the key properties of N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55058295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).