1-(6-methylnona-3,5-dien-4-yl)pyrrolidine

C14H25N — CID 596224

IUPAC1-(6-methylnona-3,5-dien-4-yl)pyrrolidine
SMILESCCC=C(C=C(C)CCC)N1CCCC1
InChIInChI=1S/C14H25N/c1-4-8-13(3)12-14(9-5-2)15-10-6-7-11-15/h9,12H,4-8,10-11H2,1-3H3
InChIKeyAFASVMHMEYBDKE-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.12
Rot. Bonds5

About 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine

1-(6-methylnona-3,5-dien-4-yl)pyrrolidine (PubChem CID 596224) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-methylnona-3,5-dien-4-yl)pyrrolidine
PubChem CID596224
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-(6-methylnona-3,5-dien-4-yl)pyrrolidine
SMILESCCC=C(C=C(C)CCC)N1CCCC1
InChIInChI=1S/C14H25N/c1-4-8-13(3)12-14(9-5-2)15-10-6-7-11-15/h9,12H,4-8,10-11H2,1-3H3
InChIKeyAFASVMHMEYBDKE-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine?
The IUPAC name of 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine (CID 596224) is 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine.
What is the SMILES notation for 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine?
The canonical SMILES for 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine is CCC=C(C=C(C)CCC)N1CCCC1.
What is the InChIKey of 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine?
The InChIKey is AFASVMHMEYBDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-8-13(3)12-14(9-5-2)15-10-6-7-11-15/h9,12H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine?
1-(6-methylnona-3,5-dien-4-yl)pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylnona-3,5-dien-4-yl)pyrrolidine is sourced from PubChem (CID 596224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).