2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine

C13H27NO — CID 139968810

IUPAC2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
SMILESCOCC(CN(C)C)(C1CC1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)13(10-15-6,9-14(4)5)11-7-8-11/h11H,7-10H2,1-6H3
InChIKeyXMFDJHFWNSNSLF-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.64
Rot. Bonds5

About 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine

2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine (PubChem CID 139968810) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
PubChem CID139968810
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine
SMILESCOCC(CN(C)C)(C1CC1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-12(2,3)13(10-15-6,9-14(4)5)11-7-8-11/h11H,7-10H2,1-6H3
InChIKeyXMFDJHFWNSNSLF-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine (CID 139968810) is 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine is COCC(CN(C)C)(C1CC1)C(C)(C)C.
What is the InChIKey of 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine?
The InChIKey is XMFDJHFWNSNSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)13(10-15-6,9-14(4)5)11-7-8-11/h11H,7-10H2,1-6H3.
What are the key properties of 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine?
2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methoxymethyl)-N,N,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 139968810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).