2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine

C16H31N — CID 155036941

IUPAC2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
SMILESC=C(CCC1CCN(C(C)C)C1CC)C(C)C
InChIInChI=1S/C16H31N/c1-7-16-15(9-8-14(6)12(2)3)10-11-17(16)13(4)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyPMHRSRBXFJCPSQ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.49
Rot. Bonds6

About 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine

2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine (PubChem CID 155036941) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
PubChem CID155036941
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
SMILESC=C(CCC1CCN(C(C)C)C1CC)C(C)C
InChIInChI=1S/C16H31N/c1-7-16-15(9-8-14(6)12(2)3)10-11-17(16)13(4)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyPMHRSRBXFJCPSQ-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine 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

2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
CID 146374292
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
4-ethyl-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 89228890
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
2-ethyl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 54268210
2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
CID 127007454
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
3-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine (CID 155036941) is 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine is C=C(CCC1CCN(C(C)C)C1CC)C(C)C.
What is the InChIKey of 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
The InChIKey is PMHRSRBXFJCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-7-16-15(9-8-14(6)12(2)3)10-11-17(16)13(4)5/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine has a molecular weight of 237.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 155036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).