1,2-dimethyl-4-propan-2-ylpyrrolidine

C9H19N — CID 142849409

IUPAC1,2-dimethyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(C)N(C)C1
InChIInChI=1S/C9H19N/c1-7(2)9-5-8(3)10(4)6-9/h7-9H,5-6H2,1-4H3
InChIKeyZWGZYHSKQSUTBI-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds1

About 1,2-dimethyl-4-propan-2-ylpyrrolidine

1,2-dimethyl-4-propan-2-ylpyrrolidine (PubChem CID 142849409) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,2-dimethyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-4-propan-2-ylpyrrolidine
PubChem CID142849409
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,2-dimethyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(C)N(C)C1
InChIInChI=1S/C9H19N/c1-7(2)9-5-8(3)10(4)6-9/h7-9H,5-6H2,1-4H3
InChIKeyZWGZYHSKQSUTBI-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
CID 155468867
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol
CID 125450004
N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine
CID 130747583
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
N-(1-cyclohexylethyl)-1,2,5-trimethylpiperidin-4-amine
CID 55069404
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
CID 98394541
1,6-dimethylpiperidine-3,4-diamine
CID 82417846

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-propan-2-ylpyrrolidine?
The IUPAC name of 1,2-dimethyl-4-propan-2-ylpyrrolidine (CID 142849409) is 1,2-dimethyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,2-dimethyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for 1,2-dimethyl-4-propan-2-ylpyrrolidine is CC(C)C1CC(C)N(C)C1.
What is the InChIKey of 1,2-dimethyl-4-propan-2-ylpyrrolidine?
The InChIKey is ZWGZYHSKQSUTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)9-5-8(3)10(4)6-9/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-propan-2-ylpyrrolidine?
1,2-dimethyl-4-propan-2-ylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 142849409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).