N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine

C12H25NO — CID 103033632

IUPACN-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)C1CCC1
InChIInChI=1S/C12H25NO/c1-10(11-6-5-7-11)13-9-8-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyMMDVLWQQSLEFSA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine

N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033632) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103033632
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)C1CCC1
InChIInChI=1S/C12H25NO/c1-10(11-6-5-7-11)13-9-8-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyMMDVLWQQSLEFSA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine 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-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine (CID 103033632) is N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNC(C)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is MMDVLWQQSLEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(11-6-5-7-11)13-9-8-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine?
N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).