N-(3-morpholin-4-ylpropyl)butan-2-amine

C11H24N2O — CID 43205014

IUPACN-(3-morpholin-4-ylpropyl)butan-2-amine
SMILESCCC(C)NCCCN1CCOCC1
InChIInChI=1S/C11H24N2O/c1-3-11(2)12-5-4-6-13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeyQKGZRHXGEPIRKL-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)butan-2-amine

N-(3-morpholin-4-ylpropyl)butan-2-amine (PubChem CID 43205014) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)butan-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)butan-2-amine
PubChem CID43205014
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(3-morpholin-4-ylpropyl)butan-2-amine
SMILESCCC(C)NCCCN1CCOCC1
InChIInChI=1S/C11H24N2O/c1-3-11(2)12-5-4-6-13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeyQKGZRHXGEPIRKL-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)butan-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-(3-morpholin-4-ylpropyl)butan-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)butan-2-amine (CID 43205014) is N-(3-morpholin-4-ylpropyl)butan-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)butan-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)butan-2-amine is CCC(C)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)butan-2-amine?
The InChIKey is QKGZRHXGEPIRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11(2)12-5-4-6-13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)butan-2-amine?
N-(3-morpholin-4-ylpropyl)butan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)butan-2-amine is sourced from PubChem (CID 43205014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).