2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine

C11H23NO — CID 139927518

IUPAC2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
SMILESCCC(COC)(CN(C)C)C1CC1
InChIInChI=1S/C11H23NO/c1-5-11(9-13-4,8-12(2)3)10-6-7-10/h10H,5-9H2,1-4H3
InChIKeyLQJKLFIBFPAKTG-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.00
Rot. Bonds6

About 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine

2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine (PubChem CID 139927518) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
PubChem CID139927518
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
SMILESCCC(COC)(CN(C)C)C1CC1
InChIInChI=1S/C11H23NO/c1-5-11(9-13-4,8-12(2)3)10-6-7-10/h10H,5-9H2,1-4H3
InChIKeyLQJKLFIBFPAKTG-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.00
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-dimethylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine (CID 139927518) is 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine is CCC(COC)(CN(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
The InChIKey is LQJKLFIBFPAKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(9-13-4,8-12(2)3)10-6-7-10/h10H,5-9H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
2-cyclopropyl-2-(methoxymethyl)-N,N-dimethylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.00, 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-dimethylbutan-1-amine is sourced from PubChem (CID 139927518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).