(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine

C12H25NO — CID 156624881

IUPAC(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine
SMILESCC(C)C1(C(C)C)OCC(C)(C)[C@H]1N
InChIInChI=1S/C12H25NO/c1-8(2)12(9(3)4)10(13)11(5,6)7-14-12/h8-10H,7,13H2,1-6H3/t10-/m1/s1
InChIKeyBSLFFFMKUMESRD-SNVBAGLBSA-N
MW199.34 g/mol
LogP2.42
Rot. Bonds2

About (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine

(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine (PubChem CID 156624881) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine
PubChem CID156624881
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine
SMILESCC(C)C1(C(C)C)OCC(C)(C)[C@H]1N
InChIInChI=1S/C12H25NO/c1-8(2)12(9(3)4)10(13)11(5,6)7-14-12/h8-10H,7,13H2,1-6H3/t10-/m1/s1
InChIKeyBSLFFFMKUMESRD-SNVBAGLBSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-tert-butyl-4,4-dimethyl-2-propan-2-yloxolan-3-amine
CID 156624818
(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
4-amino-3,3,5,5-tetramethyloxan-2-one
CID 14723652
5,5-dimethyl-2-methylsulfanyl-2-propan-2-yl-1,3-dioxane
CID 146328322
(4S)-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamide
CID 11252443
3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane
CID 165484839
(8S)-7,7-di(propan-2-yl)-2,5-dioxaspiro[3.4]octan-8-amine;(7S)-6,6-di(propan-2-yl)-4-oxaspiro[2.4]heptan-7-amine;(8S)-7,7-di(propan-2-yl)-5-oxaspiro[3.4]octan-8-amine
CID 162136189
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
1-methyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 134166265
2-(4-fluorophenyl)-2,5,5-trimethyl-4-propan-2-yl-1,3-dioxane
CID 13240206
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
2-(1-chloroethyl)-2-methyloxirane
CID 15212719

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine?
The IUPAC name of (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine (CID 156624881) is (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine.
What is the SMILES notation for (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine?
The canonical SMILES for (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine is CC(C)C1(C(C)C)OCC(C)(C)[C@H]1N.
What is the InChIKey of (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine?
The InChIKey is BSLFFFMKUMESRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO/c1-8(2)12(9(3)4)10(13)11(5,6)7-14-12/h8-10H,7,13H2,1-6H3/t10-/m1/s1.
What are the key properties of (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine?
(3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethyl-2,2-di(propan-2-yl)oxolan-3-amine is sourced from PubChem (CID 156624881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).