3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole

C10H19N — CID 174824363

IUPAC3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole
SMILESCCC1=C(CC)C(C)(C)NC1
InChIInChI=1S/C10H19N/c1-5-8-7-11-10(3,4)9(8)6-2/h11H,5-7H2,1-4H3
InChIKeyUXESFWJFGSJBSP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.48
Rot. Bonds2

About 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole

3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole (PubChem CID 174824363) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole
PubChem CID174824363
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole
SMILESCCC1=C(CC)C(C)(C)NC1
InChIInChI=1S/C10H19N/c1-5-8-7-11-10(3,4)9(8)6-2/h11H,5-7H2,1-4H3
InChIKeyUXESFWJFGSJBSP-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-butyl-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-3-en-2-amine
CID 134881350
(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole
CID 14248778
2-methyl-N-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]propan-2-amine
CID 21959775
4,5-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 57632391
4,5-Di(propan-2-yl)-1,2,3,6-tetrahydropyridine
CID 57632398
3,4-di(propan-2-yl)-2,5-dihydro-1H-pyrrole
CID 57632400
N-propan-2-yl-2-(2,4,5-trimethylcyclopenta-1,4-dien-1-yl)propan-2-amine
CID 58570427
N,2,3,4-tetramethylpent-3-en-2-amine
CID 59114836
4,5-ditert-butyl-2,3-dihydro-1H-pyrrole
CID 59206753
2,3,4-triethyl-2,5-dihydro-1H-pyrrole
CID 68258663
3-(2,4-Dimethylpentan-3-ylidene)pyrrolidine
CID 68354010
3,4-ditert-butyl-2-ethyl-2,5-dihydro-1H-pyrrole
CID 68365272

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole?
The IUPAC name of 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole (CID 174824363) is 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole.
What is the SMILES notation for 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole?
The canonical SMILES for 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole is CCC1=C(CC)C(C)(C)NC1.
What is the InChIKey of 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole?
The InChIKey is UXESFWJFGSJBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-7-11-10(3,4)9(8)6-2/h11H,5-7H2,1-4H3.
What are the key properties of 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole?
3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5,5-dimethyl-1,2-dihydropyrrole is sourced from PubChem (CID 174824363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).