(3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine

C36H75N3O3 — CID 167600941

IUPAC(3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine
SMILESCC(C)C1(C(C)(C)C)OCC(C)(C)[C@@H]1N.CC(C)C1(C(C)(C)C)OCC(C)(C)[C@H]1N.CC(C)C1(C(C)C)OCC[C@H]1N
InChIInChI=1S/2C13H27NO.C10H21NO/c2*1-9(2)13(11(3,4)5)10(14)12(6,7)8-15-13;1-7(2)10(8(3)4)9(11)5-6-12-10/h2*9-10H,8,14H2,1-7H3;7-9H,5-6,11H2,1-4H3/t2*10-,13?;9-/m101/s1
InChIKeyJSOGRMHSTKPKDE-YWRWVUGMSA-N
MW598.01 g/mol
LogP7.41
Rot. Bonds4

About (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine

(3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine (PubChem CID 167600941) has the molecular formula C36H75N3O3 and a molecular weight of 598.01 g/mol. Its IUPAC name is (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine
PubChem CID167600941
Molecular FormulaC36H75N3O3
Molecular Weight598.01 g/mol
Exact Mass597.58
IUPAC Name(3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine
SMILESCC(C)C1(C(C)(C)C)OCC(C)(C)[C@@H]1N.CC(C)C1(C(C)(C)C)OCC(C)(C)[C@H]1N.CC(C)C1(C(C)C)OCC[C@H]1N
InChIInChI=1S/2C13H27NO.C10H21NO/c2*1-9(2)13(11(3,4)5)10(14)12(6,7)8-15-13;1-7(2)10(8(3)4)9(11)5-6-12-10/h2*9-10H,8,14H2,1-7H3;7-9H,5-6,11H2,1-4H3/t2*10-,13?;9-/m101/s1
InChIKeyJSOGRMHSTKPKDE-YWRWVUGMSA-N
XLogP7.41
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.01
LogP ≤ 57.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-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 (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine?
The IUPAC name of (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine (CID 167600941) is (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine.
What is the SMILES notation for (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine?
The canonical SMILES for (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine is CC(C)C1(C(C)(C)C)OCC(C)(C)[C@@H]1N.CC(C)C1(C(C)(C)C)OCC(C)(C)[C@H]1N.CC(C)C1(C(C)C)OCC[C@H]1N.
What is the InChIKey of (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine?
The InChIKey is JSOGRMHSTKPKDE-YWRWVUGMSA-N. The full InChI is InChI=1S/2C13H27NO.C10H21NO/c2*1-9(2)13(11(3,4)5)10(14)12(6,7)8-15-13;1-7(2)10(8(3)4)9(11)5-6-12-10/h2*9-10H,8,14H2,1-7H3;7-9H,5-6,11H2,1-4H3/t2*10-,13?;9-/m101/s1.
What are the key properties of (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine?
(3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine has a molecular weight of 598.01 g/mol, XLogP of 7.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine;(3R)-2,2-di(propan-2-yl)oxolan-3-amine is sourced from PubChem (CID 167600941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).