4-[4-(oxolan-2-yl)butyl]pyridin-2-amine

C13H20N2O — CID 65165457

IUPAC4-[4-(oxolan-2-yl)butyl]pyridin-2-amine
SMILESNc1cc(CCCCC2CCCO2)ccn1
InChIInChI=1S/C13H20N2O/c14-13-10-11(7-8-15-13)4-1-2-5-12-6-3-9-16-12/h7-8,10,12H,1-6,9H2,(H2,14,15)
InChIKeyLJERNQKLXNBYDB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds5

About 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine

4-[4-(oxolan-2-yl)butyl]pyridin-2-amine (PubChem CID 65165457) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(oxolan-2-yl)butyl]pyridin-2-amine
PubChem CID65165457
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[4-(oxolan-2-yl)butyl]pyridin-2-amine
SMILESNc1cc(CCCCC2CCCO2)ccn1
InChIInChI=1S/C13H20N2O/c14-13-10-11(7-8-15-13)4-1-2-5-12-6-3-9-16-12/h7-8,10,12H,1-6,9H2,(H2,14,15)
InChIKeyLJERNQKLXNBYDB-UHFFFAOYSA-N
XLogP2.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
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

4-[2-(4-cyclohexylsulfonylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110113962
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine
CID 65160816
3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 110113863
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine?
The IUPAC name of 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine (CID 65165457) is 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine?
The canonical SMILES for 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine is Nc1cc(CCCCC2CCCO2)ccn1.
What is the InChIKey of 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine?
The InChIKey is LJERNQKLXNBYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13-10-11(7-8-15-13)4-1-2-5-12-6-3-9-16-12/h7-8,10,12H,1-6,9H2,(H2,14,15).
What are the key properties of 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine?
4-[4-(oxolan-2-yl)butyl]pyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-2-yl)butyl]pyridin-2-amine is sourced from PubChem (CID 65165457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).