3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine

C12H25NO — CID 89385855

IUPAC3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CN(C(C)C)CC1C
InChIInChI=1S/C12H25NO/c1-9(2)13-6-11(5)12(7-13)8-14-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyPUCSXNHUGDHSRG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.39
Rot. Bonds4

About 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine

3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 89385855) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
PubChem CID89385855
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CN(C(C)C)CC1C
InChIInChI=1S/C12H25NO/c1-9(2)13-6-11(5)12(7-13)8-14-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyPUCSXNHUGDHSRG-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine (CID 89385855) is 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1CN(C(C)C)CC1C.
What is the InChIKey of 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is PUCSXNHUGDHSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)13-6-11(5)12(7-13)8-14-10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine?
3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 89385855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).