N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine

C13H29NO — CID 139968895

IUPACN,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine
SMILESCCN(CC)CC(C)(COC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-8-14(9-2)10-13(6,11-15-7)12(3,4)5/h8-11H2,1-7H3
InChIKeyXJBMYMBYAHDZJJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.03
Rot. Bonds6

About N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine

N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 139968895) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine
PubChem CID139968895
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine
SMILESCCN(CC)CC(C)(COC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-8-14(9-2)10-13(6,11-15-7)12(3,4)5/h8-11H2,1-7H3
InChIKeyXJBMYMBYAHDZJJ-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N,N,2,3,3-pentamethylbutan-2-amine
CID 21041470
2-(Methoxymethyl)butyl-trimethylazanium
CID 59940216
1-Butyl-3-(2,2-dimethylbutoxymethyl)azetidine
CID 68264135
3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine
CID 70644604
2-(Methoxymethyl)-N,N,3-trimethyl-2-(propan-2-yl)butan-1-amine
CID 71350379
N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine
CID 88978386
N-tert-butyl-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine
CID 89842289
N-ethyl-N-methyl-2-(3-methyloxetan-3-yl)ethanamine
CID 90352607
N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine
CID 90974775
2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 118122887
N-ethyl-N-(3-methoxypropyl)-2-methylbutan-1-amine
CID 124027648
5,8,8-Trimethyl-1,5-oxazonane
CID 126542335

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine (CID 139968895) is N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine is CCN(CC)CC(C)(COC)C(C)(C)C.
What is the InChIKey of N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is XJBMYMBYAHDZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-14(9-2)10-13(6,11-15-7)12(3,4)5/h8-11H2,1-7H3.
What are the key properties of N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine?
N,N-diethyl-2-(methoxymethyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.03, 6 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)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 139968895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).