N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane

C14H33NO — CID 91392952

IUPACN,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane
SMILESCCC.CCC(CCN(CC)CC)COC
InChIInChI=1S/C11H25NO.C3H8/c1-5-11(10-13-4)8-9-12(6-2)7-3;1-3-2/h11H,5-10H2,1-4H3;3H2,1-2H3
InChIKeyZQRKTIZTABZBAB-UHFFFAOYSA-N
MW231.42 g/mol
LogP3.81
Rot. Bonds8

About N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane

N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane (PubChem CID 91392952) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane.

Molecular Properties

Compound NameN,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane
PubChem CID91392952
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC NameN,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane
SMILESCCC.CCC(CCN(CC)CC)COC
InChIInChI=1S/C11H25NO.C3H8/c1-5-11(10-13-4)8-9-12(6-2)7-3;1-3-2/h11H,5-10H2,1-4H3;3H2,1-2H3
InChIKeyZQRKTIZTABZBAB-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane 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,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane?
The IUPAC name of N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane (CID 91392952) is N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane.
What is the SMILES notation for N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane?
The canonical SMILES for N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane is CCC.CCC(CCN(CC)CC)COC.
What is the InChIKey of N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane?
The InChIKey is ZQRKTIZTABZBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.C3H8/c1-5-11(10-13-4)8-9-12(6-2)7-3;1-3-2/h11H,5-10H2,1-4H3;3H2,1-2H3.
What are the key properties of N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane?
N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane has a molecular weight of 231.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane is sourced from PubChem (CID 91392952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).