2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine

C12H27NO — CID 71350379

IUPAC2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine
SMILESCOCC(CN(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-10(2)12(9-14-7,11(3)4)8-13(5)6/h10-11H,8-9H2,1-7H3
InChIKeyVKUWCPCBGQHZTG-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.49
Rot. Bonds6

About 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine

2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine (PubChem CID 71350379) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine
PubChem CID71350379
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine
SMILESCOCC(CN(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-10(2)12(9-14-7,11(3)4)8-13(5)6/h10-11H,8-9H2,1-7H3
InChIKeyVKUWCPCBGQHZTG-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine (CID 71350379) is 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine is COCC(CN(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine?
The InChIKey is VKUWCPCBGQHZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)12(9-14-7,11(3)4)8-13(5)6/h10-11H,8-9H2,1-7H3.
What are the key properties of 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine?
2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,N,3-trimethyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 71350379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).