2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine

C13H27NO2 — CID 112589376

IUPAC2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
SMILESCC(C)(C)OCCNC1CCOC(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-12(2,3)15-9-7-14-11-6-8-16-13(4,5)10-11/h11,14H,6-10H2,1-5H3
InChIKeyKIOCZUXFHJSIMH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds4

About 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine

2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine (PubChem CID 112589376) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
PubChem CID112589376
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
SMILESCC(C)(C)OCCNC1CCOC(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-12(2,3)15-9-7-14-11-6-8-16-13(4,5)10-11/h11,14H,6-10H2,1-5H3
InChIKeyKIOCZUXFHJSIMH-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83033160
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247031
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 83032655
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
CID 106333827
tert-butyl 3-[2-[(2,2-dimethyloxan-4-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107249108
N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
N-(3-cyclopropyl-3-phenylbutyl)-2,2-dimethyloxan-4-amine
CID 42654190
5-[(2,2-dimethyloxan-4-yl)amino]-2-methylpentan-1-ol
CID 106158085

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine (CID 112589376) is 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine is CC(C)(C)OCCNC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine?
The InChIKey is KIOCZUXFHJSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)15-9-7-14-11-6-8-16-13(4,5)10-11/h11,14H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine?
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine is sourced from PubChem (CID 112589376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).