3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine

C14H29N — CID 174258805

IUPAC3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
SMILESCCCC1(CC(C)C)CCN(C(C)C)C1
InChIInChI=1S/C14H29N/c1-6-7-14(10-12(2)3)8-9-15(11-14)13(4)5/h12-13H,6-11H2,1-5H3
InChIKeyWDWPOOTZLZVPIC-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine

3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine (PubChem CID 174258805) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
PubChem CID174258805
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
SMILESCCCC1(CC(C)C)CCN(C(C)C)C1
InChIInChI=1S/C14H29N/c1-6-7-14(10-12(2)3)8-9-15(11-14)13(4)5/h12-13H,6-11H2,1-5H3
InChIKeyWDWPOOTZLZVPIC-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine?
The IUPAC name of 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine (CID 174258805) is 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine.
What is the SMILES notation for 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine?
The canonical SMILES for 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine is CCCC1(CC(C)C)CCN(C(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine?
The InChIKey is WDWPOOTZLZVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-7-14(10-12(2)3)8-9-15(11-14)13(4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine?
3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine is sourced from PubChem (CID 174258805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).