N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine

C17H36N2O — CID 158507511

IUPACN-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine
SMILESCC(C)CCC1CCCCN1CCOCCNC(C)C
InChIInChI=1S/C17H36N2O/c1-15(2)8-9-17-7-5-6-11-19(17)12-14-20-13-10-18-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyQMKXKNAMZSAIHF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds10

About N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine

N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine (PubChem CID 158507511) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine
PubChem CID158507511
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine
SMILESCC(C)CCC1CCCCN1CCOCCNC(C)C
InChIInChI=1S/C17H36N2O/c1-15(2)8-9-17-7-5-6-11-19(17)12-14-20-13-10-18-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyQMKXKNAMZSAIHF-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-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 N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine (CID 158507511) is N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine is CC(C)CCC1CCCCN1CCOCCNC(C)C.
What is the InChIKey of N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine?
The InChIKey is QMKXKNAMZSAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-15(2)8-9-17-7-5-6-11-19(17)12-14-20-13-10-18-16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-methylbutyl)piperidin-1-yl]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 158507511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).