N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine

C14H30N2O — CID 114856186

IUPACN-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
SMILESCCNC(CCCOC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H30N2O/c1-5-15-13(9-8-12-17-4)14(2,3)16-10-6-7-11-16/h13,15H,5-12H2,1-4H3
InChIKeyCOQJKXINKMZJJX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds8

About N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine

N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine (PubChem CID 114856186) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
PubChem CID114856186
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
SMILESCCNC(CCCOC)C(C)(C)N1CCCC1
InChIInChI=1S/C14H30N2O/c1-5-15-13(9-8-12-17-4)14(2,3)16-10-6-7-11-16/h13,15H,5-12H2,1-4H3
InChIKeyCOQJKXINKMZJJX-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-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-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine?
The IUPAC name of N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine (CID 114856186) is N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine is CCNC(CCCOC)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine?
The InChIKey is COQJKXINKMZJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-15-13(9-8-12-17-4)14(2,3)16-10-6-7-11-16/h13,15H,5-12H2,1-4H3.
What are the key properties of N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine?
N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine is sourced from PubChem (CID 114856186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).