N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine

C11H23NO2 — CID 142143712

IUPACN-(3-methoxypropyl)-N,4-dimethyloxan-3-amine
SMILESCOCCCN(C)C1COCCC1C
InChIInChI=1S/C11H23NO2/c1-10-5-8-14-9-11(10)12(2)6-4-7-13-3/h10-11H,4-9H2,1-3H3
InChIKeyKULLKZFCFKAAKC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.38
Rot. Bonds5

About N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine

N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine (PubChem CID 142143712) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N,4-dimethyloxan-3-amine
PubChem CID142143712
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(3-methoxypropyl)-N,4-dimethyloxan-3-amine
SMILESCOCCCN(C)C1COCCC1C
InChIInChI=1S/C11H23NO2/c1-10-5-8-14-9-11(10)12(2)6-4-7-13-3/h10-11H,4-9H2,1-3H3
InChIKeyKULLKZFCFKAAKC-UHFFFAOYSA-N
XLogP1.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-N,4-dimethyloxan-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 N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine?
The IUPAC name of N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine (CID 142143712) is N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine is COCCCN(C)C1COCCC1C.
What is the InChIKey of N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine?
The InChIKey is KULLKZFCFKAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10-5-8-14-9-11(10)12(2)6-4-7-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine?
N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine has a molecular weight of 201.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N,4-dimethyloxan-3-amine is sourced from PubChem (CID 142143712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).