1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine

C17H33N — CID 91209268

IUPAC1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine
SMILESC=C(C)CCCC(CCC)N1CCC(C(C)C)C1
InChIInChI=1S/C17H33N/c1-6-8-17(10-7-9-14(2)3)18-12-11-16(13-18)15(4)5/h15-17H,2,6-13H2,1,3-5H3
InChIKeyDKHKNOBZXXNXPM-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.88
Rot. Bonds8

About 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine

1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine (PubChem CID 91209268) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine
PubChem CID91209268
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine
SMILESC=C(C)CCCC(CCC)N1CCC(C(C)C)C1
InChIInChI=1S/C17H33N/c1-6-8-17(10-7-9-14(2)3)18-12-11-16(13-18)15(4)5/h15-17H,2,6-13H2,1,3-5H3
InChIKeyDKHKNOBZXXNXPM-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.88
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 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine (CID 91209268) is 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine is C=C(C)CCCC(CCC)N1CCC(C(C)C)C1.
What is the InChIKey of 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine?
The InChIKey is DKHKNOBZXXNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-6-8-17(10-7-9-14(2)3)18-12-11-16(13-18)15(4)5/h15-17H,2,6-13H2,1,3-5H3.
What are the key properties of 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine?
1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine has a molecular weight of 251.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 91209268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).