N-(2,2-dimethylpropoxy)ethanamine

C7H17NO — CID 54123893

IUPACN-(2,2-dimethylpropoxy)ethanamine
SMILESCCNOCC(C)(C)C
InChIInChI=1S/C7H17NO/c1-5-8-9-6-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyVHPVDYSNTZBNPT-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.57
Rot. Bonds3

About N-(2,2-dimethylpropoxy)ethanamine

N-(2,2-dimethylpropoxy)ethanamine (PubChem CID 54123893) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-(2,2-dimethylpropoxy)ethanamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropoxy)ethanamine
PubChem CID54123893
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-(2,2-dimethylpropoxy)ethanamine
SMILESCCNOCC(C)(C)C
InChIInChI=1S/C7H17NO/c1-5-8-9-6-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyVHPVDYSNTZBNPT-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,2-dimethylpropoxy)ethanamine 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-dimethylpropoxy)ethanamine?
The IUPAC name of N-(2,2-dimethylpropoxy)ethanamine (CID 54123893) is N-(2,2-dimethylpropoxy)ethanamine.
What is the SMILES notation for N-(2,2-dimethylpropoxy)ethanamine?
The canonical SMILES for N-(2,2-dimethylpropoxy)ethanamine is CCNOCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropoxy)ethanamine?
The InChIKey is VHPVDYSNTZBNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-8-9-6-7(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropoxy)ethanamine?
N-(2,2-dimethylpropoxy)ethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropoxy)ethanamine is sourced from PubChem (CID 54123893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).