N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine

C14H24N2O — CID 55058638

IUPACN-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCCCOc1cccc(CNC(C)C)n1
InChIInChI=1S/C14H24N2O/c1-4-5-6-10-17-14-9-7-8-13(16-14)11-15-12(2)3/h7-9,12,15H,4-6,10-11H2,1-3H3
InChIKeyXFKWCWYVCXTYBE-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds8

About N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine

N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine (PubChem CID 55058638) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
PubChem CID55058638
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCCCOc1cccc(CNC(C)C)n1
InChIInChI=1S/C14H24N2O/c1-4-5-6-10-17-14-9-7-8-13(16-14)11-15-12(2)3/h7-9,12,15H,4-6,10-11H2,1-3H3
InChIKeyXFKWCWYVCXTYBE-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 63489673
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 102985999
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376

Frequently Asked Questions

What is the IUPAC name of N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine (CID 55058638) is N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine is CCCCCOc1cccc(CNC(C)C)n1.
What is the InChIKey of N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is XFKWCWYVCXTYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-6-10-17-14-9-7-8-13(16-14)11-15-12(2)3/h7-9,12,15H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine?
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 55058638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).