5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole

C18H32N2 — CID 141260814

IUPAC5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole
SMILESCCCCCCCCCC(C1=CCCN1)C1=CCCN1
InChIInChI=1S/C18H32N2/c1-2-3-4-5-6-7-8-11-16(17-12-9-14-19-17)18-13-10-15-20-18/h12-13,16,19-20H,2-11,14-15H2,1H3
InChIKeyDXXNZQHCMUSJGL-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.50
Rot. Bonds10

About 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole

5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole (PubChem CID 141260814) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole
PubChem CID141260814
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole
SMILESCCCCCCCCCC(C1=CCCN1)C1=CCCN1
InChIInChI=1S/C18H32N2/c1-2-3-4-5-6-7-8-11-16(17-12-9-14-19-17)18-13-10-15-20-18/h12-13,16,19-20H,2-11,14-15H2,1H3
InChIKeyDXXNZQHCMUSJGL-UHFFFAOYSA-N
XLogP4.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2,3-dihydro-1H-pyrrole
CID 141242671
5-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]-2,3-dihydro-1H-pyrrole
CID 141242170
5-pentyl-2,3-dihydro-1H-pyrrole
CID 141242689
1-(2,3-dihydro-1H-pyrrol-5-yl)ethanol
CID 23223031
azane;1-octadecan-9-ylpyridin-1-ium;chloride
CID 173073424
4-[1-(3-oxo-1,2-dihydropyrazol-4-yl)octyl]-1,2-dihydropyrazol-3-one
CID 14390067
5-propyl-2,3-dihydro-1H-pyrrole
CID 44718755
1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
henicosan-11-ylazanium
CID 22645794
azane;2-methyloctadecane
CID 175414560
heptatriacontan-19-ylazanium
CID 22345110
undecane chloride
CID 19736895

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole (CID 141260814) is 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole is CCCCCCCCCC(C1=CCCN1)C1=CCCN1.
What is the InChIKey of 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole?
The InChIKey is DXXNZQHCMUSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-3-4-5-6-7-8-11-16(17-12-9-14-19-17)18-13-10-15-20-18/h12-13,16,19-20H,2-11,14-15H2,1H3.
What are the key properties of 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole?
5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole has a molecular weight of 276.47 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141260814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).