(5-butoxy-2-pyridinyl)methanamine

C10H16N2O — CID 79787452

IUPAC(5-butoxy-2-pyridinyl)methanamine
SMILESCCCCOc1ccc(CN)nc1
InChIInChI=1S/C10H16N2O/c1-2-3-6-13-10-5-4-9(7-11)12-8-10/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyJVAMUCJPHMBWLG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.72
Rot. Bonds5

About (5-butoxy-2-pyridinyl)methanamine

(5-butoxy-2-pyridinyl)methanamine (PubChem CID 79787452) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (5-butoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-butoxy-2-pyridinyl)methanamine
PubChem CID79787452
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(5-butoxy-2-pyridinyl)methanamine
SMILESCCCCOc1ccc(CN)nc1
InChIInChI=1S/C10H16N2O/c1-2-3-6-13-10-5-4-9(7-11)12-8-10/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyJVAMUCJPHMBWLG-UHFFFAOYSA-N
XLogP1.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.72
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-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 115487193
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
5-octoxypyridin-2-amine
CID 43126983
ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
CID 79776365
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335

Frequently Asked Questions

What is the IUPAC name of (5-butoxy-2-pyridinyl)methanamine?
The IUPAC name of (5-butoxy-2-pyridinyl)methanamine (CID 79787452) is (5-butoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (5-butoxy-2-pyridinyl)methanamine?
The canonical SMILES for (5-butoxy-2-pyridinyl)methanamine is CCCCOc1ccc(CN)nc1.
What is the InChIKey of (5-butoxy-2-pyridinyl)methanamine?
The InChIKey is JVAMUCJPHMBWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-6-13-10-5-4-9(7-11)12-8-10/h4-5,8H,2-3,6-7,11H2,1H3.
What are the key properties of (5-butoxy-2-pyridinyl)methanamine?
(5-butoxy-2-pyridinyl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 79787452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).