5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine

C14H29NO — CID 59848478

IUPAC5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
SMILESCC1C(N)C(CC(C)(C)C)OC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-9-11(15)10(8-13(2,3)4)16-12(9)14(5,6)7/h9-12H,8,15H2,1-7H3
InChIKeyHPDKMJHKPBPMTP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds1

About 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine

5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine (PubChem CID 59848478) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
PubChem CID59848478
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
SMILESCC1C(N)C(CC(C)(C)C)OC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-9-11(15)10(8-13(2,3)4)16-12(9)14(5,6)7/h9-12H,8,15H2,1-7H3
InChIKeyHPDKMJHKPBPMTP-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-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 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
The IUPAC name of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine (CID 59848478) is 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine.
What is the SMILES notation for 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
The canonical SMILES for 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine is CC1C(N)C(CC(C)(C)C)OC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
The InChIKey is HPDKMJHKPBPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-9-11(15)10(8-13(2,3)4)16-12(9)14(5,6)7/h9-12H,8,15H2,1-7H3.
What are the key properties of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,2-dimethylpropyl)-4-methyloxolan-3-amine is sourced from PubChem (CID 59848478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).