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

C12H25NO — CID 139927563

IUPAC2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine
SMILESCOCC(CN(C)C)(C(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-10(2)12(9-14-5,8-13(3)4)11-6-7-11/h10-11H,6-9H2,1-5H3
InChIKeyKACUEBMHUGNHAY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.25
Rot. Bonds6

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

2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine (PubChem CID 139927563) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine
PubChem CID139927563
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine
SMILESCOCC(CN(C)C)(C(C)C)C1CC1
InChIInChI=1S/C12H25NO/c1-10(2)12(9-14-5,8-13(3)4)11-6-7-11/h10-11H,6-9H2,1-5H3
InChIKeyKACUEBMHUGNHAY-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.25
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-trimethylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine (CID 139927563) is 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine is COCC(CN(C)C)(C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine?
The InChIKey is KACUEBMHUGNHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)12(9-14-5,8-13(3)4)11-6-7-11/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine?
2-cyclopropyl-2-(methoxymethyl)-N,N,3-trimethylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.25, 6 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-trimethylbutan-1-amine is sourced from PubChem (CID 139927563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).