N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane

C13H29NO — CID 144729124

IUPACN-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane
SMILESCC.CCC(CN(C)CC1CCC1)OC
InChIInChI=1S/C11H23NO.C2H6/c1-4-11(13-3)9-12(2)8-10-6-5-7-10;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyNGBLTZXDXCJVOF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds6

About N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane

N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane (PubChem CID 144729124) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane
PubChem CID144729124
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane
SMILESCC.CCC(CN(C)CC1CCC1)OC
InChIInChI=1S/C11H23NO.C2H6/c1-4-11(13-3)9-12(2)8-10-6-5-7-10;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyNGBLTZXDXCJVOF-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane?
The IUPAC name of N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane (CID 144729124) is N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane.
What is the SMILES notation for N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane?
The canonical SMILES for N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane is CC.CCC(CN(C)CC1CCC1)OC.
What is the InChIKey of N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane?
The InChIKey is NGBLTZXDXCJVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-4-11(13-3)9-12(2)8-10-6-5-7-10;1-2/h10-11H,4-9H2,1-3H3;1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane?
N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane has a molecular weight of 215.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-methoxy-N-methylbutan-1-amine;ethane is sourced from PubChem (CID 144729124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).