2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole

C17H33N — CID 175628097

IUPAC2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole
SMILESCCCCCCC(C)(CCCCC)C1CC=CN1
InChIInChI=1S/C17H33N/c1-4-6-8-10-14-17(3,13-9-7-5-2)16-12-11-15-18-16/h11,15-16,18H,4-10,12-14H2,1-3H3
InChIKeyAMMRPLMVKXQCDM-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.42
Rot. Bonds10

About 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole

2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole (PubChem CID 175628097) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole
PubChem CID175628097
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole
SMILESCCCCCCC(C)(CCCCC)C1CC=CN1
InChIInChI=1S/C17H33N/c1-4-6-8-10-14-17(3,13-9-7-5-2)16-12-11-15-18-16/h11,15-16,18H,4-10,12-14H2,1-3H3
InChIKeyAMMRPLMVKXQCDM-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole (CID 175628097) is 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole is CCCCCCC(C)(CCCCC)C1CC=CN1.
What is the InChIKey of 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole?
The InChIKey is AMMRPLMVKXQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-6-8-10-14-17(3,13-9-7-5-2)16-12-11-15-18-16/h11,15-16,18H,4-10,12-14H2,1-3H3.
What are the key properties of 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole?
2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole has a molecular weight of 251.46 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 175628097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).