(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine

C12H25NO2 — CID 167156195

IUPAC(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine
SMILESCC(C)OCCO[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)13-6-5-12(9-13)15-8-7-14-11(3)4/h10-12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyPIHNHNWLYRIECB-GFCCVEGCSA-N
MW215.34 g/mol
LogP1.91
Rot. Bonds6

About (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine

(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine (PubChem CID 167156195) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine
PubChem CID167156195
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine
SMILESCC(C)OCCO[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)13-6-5-12(9-13)15-8-7-14-11(3)4/h10-12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyPIHNHNWLYRIECB-GFCCVEGCSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine
CID 174243308
N,N-dimethyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyacetamide
CID 59988887
(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine
CID 170062284
(2S)-2-[(3R)-3-(3-methylbutoxy)pyrrolidin-1-yl]butanoic acid
CID 124725723
3-(3-methylpentoxy)-1-propan-2-ylazetidine
CID 139366100
7-[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxybutan-2-yl]-2-oxa-7-azaspiro[3.4]octane
CID 170012192
1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine
CID 155702560
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
3-(2-propan-2-yloxyethoxy)cyclobutan-1-one
CID 66368451
1-methyl-4-(2-propan-2-yloxyethoxy)piperidin-3-amine
CID 134434456

Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine?
The IUPAC name of (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine (CID 167156195) is (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine.
What is the SMILES notation for (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine?
The canonical SMILES for (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine is CC(C)OCCO[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine?
The InChIKey is PIHNHNWLYRIECB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)13-6-5-12(9-13)15-8-7-14-11(3)4/h10-12H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine?
(3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-yl-3-(2-propan-2-yloxyethoxy)pyrrolidine is sourced from PubChem (CID 167156195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).