N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C12H25NO — CID 64851881

IUPACN-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)CC)C1(C)C
InChIInChI=1S/C12H25NO/c1-6-9(3)13-10-8-11(14-7-2)12(10,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyJXRNDFRXZQKQLM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64851881) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64851881
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)CC)C1(C)C
InChIInChI=1S/C12H25NO/c1-6-9(3)13-10-8-11(14-7-2)12(10,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyJXRNDFRXZQKQLM-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-butan-2-yl-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-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64851881) is N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NC(C)CC)C1(C)C.
What is the InChIKey of N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is JXRNDFRXZQKQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-9(3)13-10-8-11(14-7-2)12(10,4)5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64851881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).