N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

C15H24N2O — CID 83229480

IUPACN-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NOC2CCCC2)c(C)n1
InChIInChI=1S/C15H24N2O/c1-10-9-11(2)16-12(3)15(10)13(4)17-18-14-7-5-6-8-14/h9,13-14,17H,5-8H2,1-4H3
InChIKeyHHXUZBVHOCWOHV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.53
Rot. Bonds4

About N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (PubChem CID 83229480) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
PubChem CID83229480
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NOC2CCCC2)c(C)n1
InChIInChI=1S/C15H24N2O/c1-10-9-11(2)16-12(3)15(10)13(4)17-18-14-7-5-6-8-14/h9,13-14,17H,5-8H2,1-4H3
InChIKeyHHXUZBVHOCWOHV-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (CID 83229480) is N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is Cc1cc(C)c(C(C)NOC2CCCC2)c(C)n1.
What is the InChIKey of N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The InChIKey is HHXUZBVHOCWOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-9-11(2)16-12(3)15(10)13(4)17-18-14-7-5-6-8-14/h9,13-14,17H,5-8H2,1-4H3.
What are the key properties of N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 83229480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).