2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine

C13H22N2O — CID 115720180

IUPAC2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
SMILESCCC(NCCOc1cccnc1)C(C)C
InChIInChI=1S/C13H22N2O/c1-4-13(11(2)3)15-8-9-16-12-6-5-7-14-10-12/h5-7,10-11,13,15H,4,8-9H2,1-3H3
InChIKeyAREHANOGESJMSI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds7

About 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine

2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine (PubChem CID 115720180) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
PubChem CID115720180
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
SMILESCCC(NCCOc1cccnc1)C(C)C
InChIInChI=1S/C13H22N2O/c1-4-13(11(2)3)15-8-9-16-12-6-5-7-14-10-12/h5-7,10-11,13,15H,4,8-9H2,1-3H3
InChIKeyAREHANOGESJMSI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine (CID 115720180) is 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine is CCC(NCCOc1cccnc1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine?
The InChIKey is AREHANOGESJMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(11(2)3)15-8-9-16-12-6-5-7-14-10-12/h5-7,10-11,13,15H,4,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine?
2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine has a molecular weight of 222.33 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine is sourced from PubChem (CID 115720180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).