5-(octan-2-yloxymethyl)pyridin-2-amine

C14H24N2O — CID 55044841

IUPAC5-(octan-2-yloxymethyl)pyridin-2-amine
SMILESCCCCCCC(C)OCc1ccc(N)nc1
InChIInChI=1S/C14H24N2O/c1-3-4-5-6-7-12(2)17-11-13-8-9-14(15)16-10-13/h8-10,12H,3-7,11H2,1-2H3,(H2,15,16)
InChIKeyYVKCWCQHPIRGMH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.54
Rot. Bonds8

About 5-(octan-2-yloxymethyl)pyridin-2-amine

5-(octan-2-yloxymethyl)pyridin-2-amine (PubChem CID 55044841) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(octan-2-yloxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(octan-2-yloxymethyl)pyridin-2-amine
PubChem CID55044841
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-(octan-2-yloxymethyl)pyridin-2-amine
SMILESCCCCCCC(C)OCc1ccc(N)nc1
InChIInChI=1S/C14H24N2O/c1-3-4-5-6-7-12(2)17-11-13-8-9-14(15)16-10-13/h8-10,12H,3-7,11H2,1-2H3,(H2,15,16)
InChIKeyYVKCWCQHPIRGMH-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 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 ≤ 53.54
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

5-(octan-2-yloxymethyl)pyrazin-2-amine
CID 103058562
5-(butoxymethyl)pyridin-2-amine
CID 62195711
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
5-hexan-2-yloxypyridin-2-amine
CID 169188351
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
2-(octan-2-yloxymethyl)aniline
CID 43127032
N-methyl-4-(octan-2-yloxymethyl)pyridin-2-amine
CID 55075961
5-(2-methylpentyl)pyridin-2-amine
CID 129191310
[(2R)-4-methyl-1-octadecan-2-yloxypentan-2-yl]oxymethylbenzene
CID 118885499
5-octoxypyridin-2-amine
CID 43126983
O-[(6-amino-3-pyridinyl)methyl]hydroxylamine
CID 45079509
2-fluoro-5-(octan-2-yloxymethyl)benzonitrile
CID 107882167

Frequently Asked Questions

What is the IUPAC name of 5-(octan-2-yloxymethyl)pyridin-2-amine?
The IUPAC name of 5-(octan-2-yloxymethyl)pyridin-2-amine (CID 55044841) is 5-(octan-2-yloxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-(octan-2-yloxymethyl)pyridin-2-amine?
The canonical SMILES for 5-(octan-2-yloxymethyl)pyridin-2-amine is CCCCCCC(C)OCc1ccc(N)nc1.
What is the InChIKey of 5-(octan-2-yloxymethyl)pyridin-2-amine?
The InChIKey is YVKCWCQHPIRGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-5-6-7-12(2)17-11-13-8-9-14(15)16-10-13/h8-10,12H,3-7,11H2,1-2H3,(H2,15,16).
What are the key properties of 5-(octan-2-yloxymethyl)pyridin-2-amine?
5-(octan-2-yloxymethyl)pyridin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(octan-2-yloxymethyl)pyridin-2-amine is sourced from PubChem (CID 55044841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).