N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine

C16H35NO — CID 139968837

IUPACN,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
SMILESCCN(CC)CC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C16H35NO/c1-8-17(9-2)12-16(13-18-7,10-14(3)4)11-15(5)6/h14-15H,8-13H2,1-7H3
InChIKeyQBFBZBMWEHNGGR-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.05
Rot. Bonds10

About N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine

N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine (PubChem CID 139968837) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
PubChem CID139968837
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
SMILESCCN(CC)CC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C16H35NO/c1-8-17(9-2)12-16(13-18-7,10-14(3)4)11-15(5)6/h14-15H,8-13H2,1-7H3
InChIKeyQBFBZBMWEHNGGR-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine (CID 139968837) is N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine is CCN(CC)CC(COC)(CC(C)C)CC(C)C.
What is the InChIKey of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is QBFBZBMWEHNGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-8-17(9-2)12-16(13-18-7,10-14(3)4)11-15(5)6/h14-15H,8-13H2,1-7H3.
What are the key properties of N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine?
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 139968837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).