(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane

C29H63N3 — CID 159844642

IUPAC(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane
SMILESCCCCC.CC[C@@H]1CCCN1C.CC[C@@H]1C[C@H](C)C(C)N1C.CC[C@@H]1C[C@H](C)CN1C
InChIInChI=1S/C9H19N.C8H17N.C7H15N.C5H12/c1-5-9-6-7(2)8(3)10(9)4;1-4-8-5-7(2)6-9(8)3;1-3-7-5-4-6-8(7)2;1-3-5-4-2/h7-9H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;3-5H2,1-2H3/t7-,8?,9+;7-,8+;7-;/m001./s1
InChIKeyNPDGJJHMOKVBMY-XCDLJTOQSA-N
MW453.84 g/mol
LogP7.55
Rot. Bonds5

About (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane

(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane (PubChem CID 159844642) has the molecular formula C29H63N3 and a molecular weight of 453.84 g/mol. Its IUPAC name is (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane.

Molecular Properties

Compound Name(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane
PubChem CID159844642
Molecular FormulaC29H63N3
Molecular Weight453.84 g/mol
Exact Mass453.50
IUPAC Name(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane
SMILESCCCCC.CC[C@@H]1CCCN1C.CC[C@@H]1C[C@H](C)C(C)N1C.CC[C@@H]1C[C@H](C)CN1C
InChIInChI=1S/C9H19N.C8H17N.C7H15N.C5H12/c1-5-9-6-7(2)8(3)10(9)4;1-4-8-5-7(2)6-9(8)3;1-3-7-5-4-6-8(7)2;1-3-5-4-2/h7-9H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;3-5H2,1-2H3/t7-,8?,9+;7-,8+;7-;/m001./s1
InChIKeyNPDGJJHMOKVBMY-XCDLJTOQSA-N
XLogP7.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.84
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-(2-methylhexyl)pyrrolidine
CID 155425849
(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine
CID 159513333
1-methyl-2-tetradecylpyrrolidine
CID 24796983
2-butyl-1,6-dimethylazepane;ethane
CID 163393241
2-butyl-1,3-dimethylpiperidine
CID 145095316
2-ethyl-1-undecylpyrrolidine
CID 171569857
(3S)-3-butyl-1,2-dimethylpiperidine
CID 145095444
5-ethyl-4-methyl-4-azabicyclo[10.3.1]hexadecane
CID 170112638
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
ethane;2-ethyl-1-pentan-2-ylpyrrolidine
CID 156889102

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane?
The IUPAC name of (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane (CID 159844642) is (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane.
What is the SMILES notation for (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane?
The canonical SMILES for (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane is CCCCC.CC[C@@H]1CCCN1C.CC[C@@H]1C[C@H](C)C(C)N1C.CC[C@@H]1C[C@H](C)CN1C.
What is the InChIKey of (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane?
The InChIKey is NPDGJJHMOKVBMY-XCDLJTOQSA-N. The full InChI is InChI=1S/C9H19N.C8H17N.C7H15N.C5H12/c1-5-9-6-7(2)8(3)10(9)4;1-4-8-5-7(2)6-9(8)3;1-3-7-5-4-6-8(7)2;1-3-5-4-2/h7-9H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;3-5H2,1-2H3/t7-,8?,9+;7-,8+;7-;/m001./s1.
What are the key properties of (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane?
(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane has a molecular weight of 453.84 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane is sourced from PubChem (CID 159844642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).