1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine

C13H23N3 — CID 142390821

IUPAC1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
SMILESCN1CCN(CCCCCC2=NCC=C2)C1
InChIInChI=1S/C13H23N3/c1-15-10-11-16(12-15)9-4-2-3-6-13-7-5-8-14-13/h5,7H,2-4,6,8-12H2,1H3
InChIKeyIOYUKJMGHJHIMA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.76
Rot. Bonds6

About 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine

1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine (PubChem CID 142390821) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine.

Molecular Properties

Compound Name1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
PubChem CID142390821
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
SMILESCN1CCN(CCCCCC2=NCC=C2)C1
InChIInChI=1S/C13H23N3/c1-15-10-11-16(12-15)9-4-2-3-6-13-7-5-8-14-13/h5,7H,2-4,6,8-12H2,1H3
InChIKeyIOYUKJMGHJHIMA-UHFFFAOYSA-N
XLogP1.76
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
CID 142390820
(Z)-N-(pyrrolidin-1-ylmethyl)dec-5-en-4-imine
CID 143541055

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
The IUPAC name of 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine (CID 142390821) is 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine.
What is the SMILES notation for 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
The canonical SMILES for 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine is CN1CCN(CCCCCC2=NCC=C2)C1.
What is the InChIKey of 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
The InChIKey is IOYUKJMGHJHIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15-10-11-16(12-15)9-4-2-3-6-13-7-5-8-14-13/h5,7H,2-4,6,8-12H2,1H3.
What are the key properties of 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine has a molecular weight of 221.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine is sourced from PubChem (CID 142390821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).