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

C18H35N — CID 134275616

IUPAC3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
SMILESC=C(CCC1(CCCC)CCN(C(C)C)C1)C(C)C
InChIInChI=1S/C18H35N/c1-7-8-10-18(11-9-17(6)15(2)3)12-13-19(14-18)16(4)5/h15-16H,6-14H2,1-5H3
InChIKeyIJZANPNJQJRKQD-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.27
Rot. Bonds8

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

3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine (PubChem CID 134275616) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
PubChem CID134275616
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
SMILESC=C(CCC1(CCCC)CCN(C(C)C)C1)C(C)C
InChIInChI=1S/C18H35N/c1-7-8-10-18(11-9-17(6)15(2)3)12-13-19(14-18)16(4)5/h15-16H,6-14H2,1-5H3
InChIKeyIJZANPNJQJRKQD-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine (CID 134275616) is 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine is C=C(CCC1(CCCC)CCN(C(C)C)C1)C(C)C.
What is the InChIKey of 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
The InChIKey is IJZANPNJQJRKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-8-10-18(11-9-17(6)15(2)3)12-13-19(14-18)16(4)5/h15-16H,6-14H2,1-5H3.
What are the key properties of 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine?
3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine has a molecular weight of 265.48 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 134275616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).