ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine

C16H30N2O — CID 142114829

IUPACethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine
SMILESCC.CCC(CC)NCCCOc1cccc(C)n1
InChIInChI=1S/C14H24N2O.C2H6/c1-4-13(5-2)15-10-7-11-17-14-9-6-8-12(3)16-14;1-2/h6,8-9,13,15H,4-5,7,10-11H2,1-3H3;1-2H3
InChIKeySEWOZQAPVHAMNW-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.96
Rot. Bonds8

About ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine

ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine (PubChem CID 142114829) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine.

Molecular Properties

Compound Nameethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine
PubChem CID142114829
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine
SMILESCC.CCC(CC)NCCCOc1cccc(C)n1
InChIInChI=1S/C14H24N2O.C2H6/c1-4-13(5-2)15-10-7-11-17-14-9-6-8-12(3)16-14;1-2/h6,8-9,13,15H,4-5,7,10-11H2,1-3H3;1-2H3
InChIKeySEWOZQAPVHAMNW-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine 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 ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine?
The IUPAC name of ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine (CID 142114829) is ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine.
What is the SMILES notation for ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine?
The canonical SMILES for ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine is CC.CCC(CC)NCCCOc1cccc(C)n1.
What is the InChIKey of ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine?
The InChIKey is SEWOZQAPVHAMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.C2H6/c1-4-13(5-2)15-10-7-11-17-14-9-6-8-12(3)16-14;1-2/h6,8-9,13,15H,4-5,7,10-11H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine?
ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine has a molecular weight of 266.43 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[(6-methyl-2-pyridinyl)oxy]propyl]pentan-3-amine is sourced from PubChem (CID 142114829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).