3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine

C14H27N — CID 177228245

IUPAC3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
SMILESCCC1CC(CC2CCN(C(C)C)C2)C1
InChIInChI=1S/C14H27N/c1-4-12-7-14(8-12)9-13-5-6-15(10-13)11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyXEGALJJCCJQTSF-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds4

About 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine

3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine (PubChem CID 177228245) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
PubChem CID177228245
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
SMILESCCC1CC(CC2CCN(C(C)C)C2)C1
InChIInChI=1S/C14H27N/c1-4-12-7-14(8-12)9-13-5-6-15(10-13)11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyXEGALJJCCJQTSF-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
3-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclopentan-1-amine
CID 64501124
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 117269914
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
ethane;4-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpiperidine;4-[(4-ethylcyclohexyl)methyl]-1-methylpiperidine;1-ethyl-4-(3-ethylcyclobutyl)oxypiperidine
CID 176984189
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine (CID 177228245) is 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine is CCC1CC(CC2CCN(C(C)C)C2)C1.
What is the InChIKey of 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine?
The InChIKey is XEGALJJCCJQTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-12-7-14(8-12)9-13-5-6-15(10-13)11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine?
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 177228245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).