2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine

C12H26N2O — CID 43201453

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESCCCC(C)CNCCN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-3-4-12(2)11-13-5-6-14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyVVIOYKOXDMDBDI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds7

About 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine

2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine (PubChem CID 43201453) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
PubChem CID43201453
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESCCCC(C)CNCCN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-3-4-12(2)11-13-5-6-14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3
InChIKeyVVIOYKOXDMDBDI-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-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 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine (CID 43201453) is 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine is CCCC(C)CNCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The InChIKey is VVIOYKOXDMDBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-12(2)11-13-5-6-14-7-9-15-10-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine?
2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine is sourced from PubChem (CID 43201453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).