(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine

C33H72N4 — CID 159143441

IUPAC(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC[C@@H]1CCN1C(C)C.CC[C@H]1CCN1C(C)C
InChIInChI=1S/4C8H17N.CH4/c2*1-7(2)9-5-4-8(3)6-9;2*1-4-8-5-6-9(8)7(2)3;/h4*7-8H,4-6H2,1-3H3;1H4/t4*8-;/m1010./s1
InChIKeyKIJODACDFSJVTR-WLEWYMNDSA-N
MW524.97 g/mol
LogP7.87
Rot. Bonds6

About (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine

(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine (PubChem CID 159143441) has the molecular formula C33H72N4 and a molecular weight of 524.97 g/mol. Its IUPAC name is (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine
PubChem CID159143441
Molecular FormulaC33H72N4
Molecular Weight524.97 g/mol
Exact Mass524.58
IUPAC Name(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC[C@@H]1CCN1C(C)C.CC[C@H]1CCN1C(C)C
InChIInChI=1S/4C8H17N.CH4/c2*1-7(2)9-5-4-8(3)6-9;2*1-4-8-5-6-9(8)7(2)3;/h4*7-8H,4-6H2,1-3H3;1H4/t4*8-;/m1010./s1
InChIKeyKIJODACDFSJVTR-WLEWYMNDSA-N
XLogP7.87
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.97
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine (CID 159143441) is (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine is C.CC(C)N1CC[C@@H](C)C1.CC(C)N1CC[C@H](C)C1.CC[C@@H]1CCN1C(C)C.CC[C@H]1CCN1C(C)C.
What is the InChIKey of (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is KIJODACDFSJVTR-WLEWYMNDSA-N. The full InChI is InChI=1S/4C8H17N.CH4/c2*1-7(2)9-5-4-8(3)6-9;2*1-4-8-5-6-9(8)7(2)3;/h4*7-8H,4-6H2,1-3H3;1H4/t4*8-;/m1010./s1.
What are the key properties of (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine?
(2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 524.97 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;methane;(3R)-3-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159143441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).