1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine

C27H57N3 — CID 161279847

IUPAC1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
SMILESCCN1CCCC1C(C)C.CCN1CCC[C@@H]1C(C)C.CCN1CCC[C@H]1C(C)C
InChIInChI=1S/3C9H19N/c3*1-4-10-7-5-6-9(10)8(2)3/h3*8-9H,4-7H2,1-3H3/t2*9-;/m10./s1
InChIKeyVEXYEOPGUMYQEE-LSNJKTGPSA-N
MW423.77 g/mol
LogP6.38
Rot. Bonds6

About 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine

1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine (PubChem CID 161279847) has the molecular formula C27H57N3 and a molecular weight of 423.77 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
PubChem CID161279847
Molecular FormulaC27H57N3
Molecular Weight423.77 g/mol
Exact Mass423.46
IUPAC Name1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
SMILESCCN1CCCC1C(C)C.CCN1CCC[C@@H]1C(C)C.CCN1CCC[C@H]1C(C)C
InChIInChI=1S/3C9H19N/c3*1-4-10-7-5-6-9(10)8(2)3/h3*8-9H,4-7H2,1-3H3/t2*9-;/m10./s1
InChIKeyVEXYEOPGUMYQEE-LSNJKTGPSA-N
XLogP6.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
1-(1-ethylpyrrolidin-2-yl)ethanamine
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CID 177010106
1-ethyl-2-methyl-3-propan-2-ylpiperidine
CID 154952933
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931
5-(difluoromethyl)-1-ethyl-2-propan-2-ylazepane
CID 175613640
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452601
1-(oxan-4-ylmethyl)-2-propan-2-ylpyrrolidine
CID 91322429
N-ethyl-3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452820
2-methyl-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 82768216
2-ethyl-4-(2-propan-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 77102016

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine (CID 161279847) is 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine is CCN1CCCC1C(C)C.CCN1CCC[C@@H]1C(C)C.CCN1CCC[C@H]1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine?
The InChIKey is VEXYEOPGUMYQEE-LSNJKTGPSA-N. The full InChI is InChI=1S/3C9H19N/c3*1-4-10-7-5-6-9(10)8(2)3/h3*8-9H,4-7H2,1-3H3/t2*9-;/m10./s1.
What are the key properties of 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine?
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine has a molecular weight of 423.77 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 161279847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).