N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine

C12H27NO — CID 139968845

IUPACN,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(COC)CN(CC)CC
InChIInChI=1S/C12H27NO/c1-6-9-12(4,11-14-5)10-13(7-2)8-3/h6-11H2,1-5H3
InChIKeyBEDWGZABVSMHQV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds8

About N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine

N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine (PubChem CID 139968845) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine
PubChem CID139968845
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine
SMILESCCCC(C)(COC)CN(CC)CC
InChIInChI=1S/C12H27NO/c1-6-9-12(4,11-14-5)10-13(7-2)8-3/h6-11H2,1-5H3
InChIKeyBEDWGZABVSMHQV-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
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)-2-methylpentan-1-amine?
The IUPAC name of N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine (CID 139968845) is N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine?
The canonical SMILES for N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine is CCCC(C)(COC)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine?
The InChIKey is BEDWGZABVSMHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-9-12(4,11-14-5)10-13(7-2)8-3/h6-11H2,1-5H3.
What are the key properties of N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine?
N,N-diethyl-2-(methoxymethyl)-2-methylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 8 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)-2-methylpentan-1-amine is sourced from PubChem (CID 139968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).