(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine

C12H25N — CID 169194158

IUPAC(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
SMILESCCC[C@H]1C[C@@H](CC)N(C(C)C)C1
InChIInChI=1S/C12H25N/c1-5-7-11-8-12(6-2)13(9-11)10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyDZLKRWAPAKGPCQ-NWDGAFQWSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds4

About (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine

(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine (PubChem CID 169194158) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
PubChem CID169194158
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
SMILESCCC[C@H]1C[C@@H](CC)N(C(C)C)C1
InChIInChI=1S/C12H25N/c1-5-7-11-8-12(6-2)13(9-11)10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyDZLKRWAPAKGPCQ-NWDGAFQWSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-1-propan-2-yl-2-propylazetidine
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(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
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2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine
CID 89132122
2-ethyl-1-methyl-5-propylpiperidine
CID 123231200
[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
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CID 163256433

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine?
The IUPAC name of (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine (CID 169194158) is (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine.
What is the SMILES notation for (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine?
The canonical SMILES for (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine is CCC[C@H]1C[C@@H](CC)N(C(C)C)C1.
What is the InChIKey of (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine?
The InChIKey is DZLKRWAPAKGPCQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-11-8-12(6-2)13(9-11)10(3)4/h10-12H,5-9H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine?
(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine is sourced from PubChem (CID 169194158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).