2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine

C13H28N2O — CID 106633835

IUPAC2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCC(C)CCOCCNCC1CCCCN1
InChIInChI=1S/C13H28N2O/c1-12(2)6-9-16-10-8-14-11-13-5-3-4-7-15-13/h12-15H,3-11H2,1-2H3
InChIKeyBQSPWJQJNPQWOR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.78
Rot. Bonds8

About 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine

2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106633835) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106633835
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCC(C)CCOCCNCC1CCCCN1
InChIInChI=1S/C13H28N2O/c1-12(2)6-9-16-10-8-14-11-13-5-3-4-7-15-13/h12-15H,3-11H2,1-2H3
InChIKeyBQSPWJQJNPQWOR-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
CID 62211487
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106638477
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine (CID 106633835) is 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine is CC(C)CCOCCNCC1CCCCN1.
What is the InChIKey of 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is BQSPWJQJNPQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)6-9-16-10-8-14-11-13-5-3-4-7-15-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine?
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106633835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).