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

C14H29NO — CID 59848423

IUPAC2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
SMILESCC1C(CC(C)(C)C)OC(C(C)(C)C)C1N
InChIInChI=1S/C14H29NO/c1-9-10(8-13(2,3)4)16-12(11(9)15)14(5,6)7/h9-12H,8,15H2,1-7H3
InChIKeyVCYMODOBJWEDQO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds1

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

2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine (PubChem CID 59848423) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
PubChem CID59848423
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine
SMILESCC1C(CC(C)(C)C)OC(C(C)(C)C)C1N
InChIInChI=1S/C14H29NO/c1-9-10(8-13(2,3)4)16-12(11(9)15)14(5,6)7/h9-12H,8,15H2,1-7H3
InChIKeyVCYMODOBJWEDQO-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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine (CID 59848423) is 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine is CC1C(CC(C)(C)C)OC(C(C)(C)C)C1N.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
The InChIKey is VCYMODOBJWEDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-9-10(8-13(2,3)4)16-12(11(9)15)14(5,6)7/h9-12H,8,15H2,1-7H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine?
2-tert-butyl-5-(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 2-tert-butyl-5-(2,2-dimethylpropyl)-4-methyloxolan-3-amine is sourced from PubChem (CID 59848423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).