1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine

C18H42N2 — CID 143713816

IUPAC1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC.CC.CC(C)C1CCN(C)C1.CC1CCCN1C
InChIInChI=1S/C8H17N.C6H13N.2C2H6/c1-7(2)8-4-5-9(3)6-8;1-6-4-3-5-7(6)2;2*1-2/h7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;2*1-2H3
InChIKeyVXOFOWILQNXMFC-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.75
Rot. Bonds1

About 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine

1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 143713816) has the molecular formula C18H42N2 and a molecular weight of 286.55 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
PubChem CID143713816
Molecular FormulaC18H42N2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC Name1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
SMILESCC.CC.CC(C)C1CCN(C)C1.CC1CCCN1C
InChIInChI=1S/C8H17N.C6H13N.2C2H6/c1-7(2)8-4-5-9(3)6-8;1-6-4-3-5-7(6)2;2*1-2/h7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;2*1-2H3
InChIKeyVXOFOWILQNXMFC-UHFFFAOYSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
1,2-dimethylpyrrolidine;methanol
CID 158560912
1,2-dimethylpiperidine;ethane;1,2,6-trimethylpiperidine
CID 142886839
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 160580121
1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
CID 173453320
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine (CID 143713816) is 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine is CC.CC.CC(C)C1CCN(C)C1.CC1CCCN1C.
What is the InChIKey of 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is VXOFOWILQNXMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C6H13N.2C2H6/c1-7(2)8-4-5-9(3)6-8;1-6-4-3-5-7(6)2;2*1-2/h7-8H,4-6H2,1-3H3;6H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine?
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 286.55 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 143713816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).