2-methylidene-4-octyl-1-propan-2-ylpyrrolidine

C16H31N — CID 170187504

IUPAC2-methylidene-4-octyl-1-propan-2-ylpyrrolidine
SMILESC=C1CC(CCCCCCCC)CN1C(C)C
InChIInChI=1S/C16H31N/c1-5-6-7-8-9-10-11-16-12-15(4)17(13-16)14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyYFPDQYRNEPHDMH-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.98
Rot. Bonds8

About 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine

2-methylidene-4-octyl-1-propan-2-ylpyrrolidine (PubChem CID 170187504) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methylidene-4-octyl-1-propan-2-ylpyrrolidine
PubChem CID170187504
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-methylidene-4-octyl-1-propan-2-ylpyrrolidine
SMILESC=C1CC(CCCCCCCC)CN1C(C)C
InChIInChI=1S/C16H31N/c1-5-6-7-8-9-10-11-16-12-15(4)17(13-16)14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyYFPDQYRNEPHDMH-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine (CID 170187504) is 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine is C=C1CC(CCCCCCCC)CN1C(C)C.
What is the InChIKey of 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine?
The InChIKey is YFPDQYRNEPHDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-6-7-8-9-10-11-16-12-15(4)17(13-16)14(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine?
2-methylidene-4-octyl-1-propan-2-ylpyrrolidine has a molecular weight of 237.43 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-octyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 170187504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).