(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

C13H25NO — CID 175612155

IUPAC(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@@H](C)C2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)15-10-13(5-6-13)9-14-7-4-12(3)8-14/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyTVKVBJAVALSNQO-GFCCVEGCSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds5

About (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 175612155) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID175612155
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CC[C@@H](C)C2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)15-10-13(5-6-13)9-14-7-4-12(3)8-14/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyTVKVBJAVALSNQO-GFCCVEGCSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
1-[1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 178037963
(3R)-3-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidine
CID 167196358
(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 170926422
6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 170676624
2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane
CID 174179731
(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926296
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
CID 130727528

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (CID 175612155) is (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is CC(C)OCC1(CN2CC[C@@H](C)C2)CC1.
What is the InChIKey of (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is TVKVBJAVALSNQO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)15-10-13(5-6-13)9-14-7-4-12(3)8-14/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 175612155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).