N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C13H27NO — CID 64724383

IUPACN-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC(C)(C)C)C1(C)C
InChIInChI=1S/C13H27NO/c1-7-15-11-8-10(13(11,5)6)14-9-12(2,3)4/h10-11,14H,7-9H2,1-6H3
InChIKeyMTTANNYJMFDJQB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64724383) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64724383
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NCC(C)(C)C)C1(C)C
InChIInChI=1S/C13H27NO/c1-7-15-11-8-10(13(11,5)6)14-9-12(2,3)4/h10-11,14H,7-9H2,1-6H3
InChIKeyMTTANNYJMFDJQB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-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-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64724383) is N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NCC(C)(C)C)C1(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is MTTANNYJMFDJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-15-11-8-10(13(11,5)6)14-9-12(2,3)4/h10-11,14H,7-9H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64724383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).