(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine

C13H27NO — CID 156624818

IUPAC(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine
SMILESCC(C)C1(C(C)(C)C)OCC(C)(C)[C@@H]1N
InChIInChI=1S/C13H27NO/c1-9(2)13(11(3,4)5)10(14)12(6,7)8-15-13/h9-10H,8,14H2,1-7H3/t10-,13?/m0/s1
InChIKeyMRLCOLFRNFJPPT-NKUHCKNESA-N
MW213.36 g/mol
LogP2.81
Rot. Bonds1

About (3S)-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 (PubChem CID 156624818) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine
PubChem CID156624818
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine
SMILESCC(C)C1(C(C)(C)C)OCC(C)(C)[C@@H]1N
InChIInChI=1S/C13H27NO/c1-9(2)13(11(3,4)5)10(14)12(6,7)8-15-13/h9-10H,8,14H2,1-7H3/t10-,13?/m0/s1
InChIKeyMRLCOLFRNFJPPT-NKUHCKNESA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine?
The IUPAC name of (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine (CID 156624818) is (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine.
What is the SMILES notation for (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine?
The canonical SMILES for (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine is CC(C)C1(C(C)(C)C)OCC(C)(C)[C@@H]1N.
What is the InChIKey of (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine?
The InChIKey is MRLCOLFRNFJPPT-NKUHCKNESA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)13(11(3,4)5)10(14)12(6,7)8-15-13/h9-10H,8,14H2,1-7H3/t10-,13?/m0/s1.
What are the key properties of (3S)-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 has a molecular weight of 213.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine is sourced from PubChem (CID 156624818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).