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

C15H29N3 — CID 142390820

IUPACethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
SMILESCC.CN1CCN(CCCCCC2=NCC=C2)C1
InChIInChI=1S/C13H23N3.C2H6/c1-15-10-11-16(12-15)9-4-2-3-6-13-7-5-8-14-13;1-2/h5,7H,2-4,6,8-12H2,1H3;1-2H3
InChIKeyPEQVETOKEJHNRQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.79
Rot. Bonds6

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

ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine (PubChem CID 142390820) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine.

Molecular Properties

Compound Nameethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
PubChem CID142390820
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nameethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
SMILESCC.CN1CCN(CCCCCC2=NCC=C2)C1
InChIInChI=1S/C13H23N3.C2H6/c1-15-10-11-16(12-15)9-4-2-3-6-13-7-5-8-14-13;1-2/h5,7H,2-4,6,8-12H2,1H3;1-2H3
InChIKeyPEQVETOKEJHNRQ-UHFFFAOYSA-N
XLogP2.79
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.79
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

1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine
CID 142390821
(Z)-N-(pyrrolidin-1-ylmethyl)dec-5-en-4-imine
CID 143541055

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
The IUPAC name of ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine (CID 142390820) is ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine.
What is the SMILES notation for ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
The canonical SMILES for ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine is CC.CN1CCN(CCCCCC2=NCC=C2)C1.
What is the InChIKey of ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
The InChIKey is PEQVETOKEJHNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-15-10-11-16(12-15)9-4-2-3-6-13-7-5-8-14-13;1-2/h5,7H,2-4,6,8-12H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine?
ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine has a molecular weight of 251.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[5-(2H-pyrrol-5-yl)pentyl]imidazolidine is sourced from PubChem (CID 142390820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).