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

C13H22N2O — CID 62291321

IUPACN-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCCOc1cccc(CNC(C)C)n1
InChIInChI=1S/C13H22N2O/c1-4-5-9-16-13-8-6-7-12(15-13)10-14-11(2)3/h6-8,11,14H,4-5,9-10H2,1-3H3
InChIKeyJMDQFTLUKOBAJR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds7

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

N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine (PubChem CID 62291321) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
PubChem CID62291321
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
SMILESCCCCOc1cccc(CNC(C)C)n1
InChIInChI=1S/C13H22N2O/c1-4-5-9-16-13-8-6-7-12(15-13)10-14-11(2)3/h6-8,11,14H,4-5,9-10H2,1-3H3
InChIKeyJMDQFTLUKOBAJR-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
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
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N-[(6-octan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 63489673
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
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-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376
2,6-dibutoxypyridine
CID 67437244

Frequently Asked Questions

What is the IUPAC name of N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine (CID 62291321) is N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine is CCCCOc1cccc(CNC(C)C)n1.
What is the InChIKey of N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is JMDQFTLUKOBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-9-16-13-8-6-7-12(15-13)10-14-11(2)3/h6-8,11,14H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine?
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62291321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).