(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine

C15H30N2 — CID 143922765

IUPAC(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
SMILESCCC1CCCN1CN1C(CC)CC[C@@H]1CC
InChIInChI=1S/C15H30N2/c1-4-13-8-7-11-16(13)12-17-14(5-2)9-10-15(17)6-3/h13-15H,4-12H2,1-3H3/t13?,14-,15?/m0/s1
InChIKeyGNTPTFYPZRDBFT-SLTAFYQDSA-N
MW238.42 g/mol
LogP3.47
Rot. Bonds5

About (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine

(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine (PubChem CID 143922765) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
PubChem CID143922765
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
SMILESCCC1CCCN1CN1C(CC)CC[C@@H]1CC
InChIInChI=1S/C15H30N2/c1-4-13-8-7-11-16(13)12-17-14(5-2)9-10-15(17)6-3/h13-15H,4-12H2,1-3H3/t13?,14-,15?/m0/s1
InChIKeyGNTPTFYPZRDBFT-SLTAFYQDSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethylpyrrolidine;hydrochloride
CID 175060343
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
1,2-diethylpiperidine
CID 19604037
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
1-(2-bromoethyl)-2-ethylpyrrolidine
CID 61288740
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
2-ethyl-1-undecylpyrrolidine
CID 171569857
1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
CID 60973405
2-[(2-ethylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615870
1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine
CID 116679486

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine?
The IUPAC name of (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine (CID 143922765) is (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine is CCC1CCCN1CN1C(CC)CC[C@@H]1CC.
What is the InChIKey of (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine?
The InChIKey is GNTPTFYPZRDBFT-SLTAFYQDSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-13-8-7-11-16(13)12-17-14(5-2)9-10-15(17)6-3/h13-15H,4-12H2,1-3H3/t13?,14-,15?/m0/s1.
What are the key properties of (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine?
(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine has a molecular weight of 238.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 143922765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).