1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine

C14H29N — CID 134568282

IUPAC1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
SMILESCCC(CC)(CN1CCCC1C)C(C)C
InChIInChI=1S/C14H29N/c1-6-14(7-2,12(3)4)11-15-10-8-9-13(15)5/h12-13H,6-11H2,1-5H3
InChIKeySOUVZCQJULAFOF-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds5

About 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine

1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine (PubChem CID 134568282) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
PubChem CID134568282
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
SMILESCCC(CC)(CN1CCCC1C)C(C)C
InChIInChI=1S/C14H29N/c1-6-14(7-2,12(3)4)11-15-10-8-9-13(15)5/h12-13H,6-11H2,1-5H3
InChIKeySOUVZCQJULAFOF-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130718541
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474
N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62277022
1-[2-(bromomethyl)-2-ethylbutyl]-2-methylazepane
CID 65003407
2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
CID 104550406
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 64818955
1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 130487919
(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
CID 126694482
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine?
The IUPAC name of 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine (CID 134568282) is 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine is CCC(CC)(CN1CCCC1C)C(C)C.
What is the InChIKey of 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine?
The InChIKey is SOUVZCQJULAFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-14(7-2,12(3)4)11-15-10-8-9-13(15)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine?
1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine is sourced from PubChem (CID 134568282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).