1-methyl-3-propan-2-ylpyrrolidine

C8H17N — CID 21355395

IUPAC1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(C)C1
InChIInChI=1S/C8H17N/c1-7(2)8-4-5-9(3)6-8/h7-8H,4-6H2,1-3H3
InChIKeyFDSDQOUVUZKCGX-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.59
Rot. Bonds1

About 1-methyl-3-propan-2-ylpyrrolidine

1-methyl-3-propan-2-ylpyrrolidine (PubChem CID 21355395) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrrolidine
PubChem CID21355395
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1-methyl-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(C)C1
InChIInChI=1S/C8H17N/c1-7(2)8-4-5-9(3)6-8/h7-8H,4-6H2,1-3H3
InChIKeyFDSDQOUVUZKCGX-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1,2-dimethylpyrrolidine;ethane;1-methyl-3-propan-2-ylpyrrolidine
CID 143713816
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
CID 58945115
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
CID 140507743
(6R)-4-methyl-6-propan-2-yl-1,4-oxazepane
CID 118445298
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-3-propan-2-ylpyrrolidine (CID 21355395) is 1-methyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrrolidine is CC(C)C1CCN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrrolidine?
The InChIKey is FDSDQOUVUZKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)8-4-5-9(3)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylpyrrolidine?
1-methyl-3-propan-2-ylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 21355395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).