N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine

C13H22N2O — CID 102985726

IUPACN-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCCCC(C)Oc1ccc(CNCC)cn1
InChIInChI=1S/C13H22N2O/c1-4-6-11(3)16-13-8-7-12(10-15-13)9-14-5-2/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyMWHNPEGBAQXHNC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds7

About N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine

N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 102985726) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID102985726
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCCCC(C)Oc1ccc(CNCC)cn1
InChIInChI=1S/C13H22N2O/c1-4-6-11(3)16-13-8-7-12(10-15-13)9-14-5-2/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyMWHNPEGBAQXHNC-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 102985726) is N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine is CCCC(C)Oc1ccc(CNCC)cn1.
What is the InChIKey of N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is MWHNPEGBAQXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-11(3)16-13-8-7-12(10-15-13)9-14-5-2/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine?
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 102985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).