1-ethyl-3,3-di(propan-2-yl)pyrrolidine

C12H25N — CID 58745653

IUPAC1-ethyl-3,3-di(propan-2-yl)pyrrolidine
SMILESCCN1CCC(C(C)C)(C(C)C)C1
InChIInChI=1S/C12H25N/c1-6-13-8-7-12(9-13,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyBHAKCLODSSVRFY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds3

About 1-ethyl-3,3-di(propan-2-yl)pyrrolidine

1-ethyl-3,3-di(propan-2-yl)pyrrolidine (PubChem CID 58745653) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-ethyl-3,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-3,3-di(propan-2-yl)pyrrolidine
PubChem CID58745653
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-ethyl-3,3-di(propan-2-yl)pyrrolidine
SMILESCCN1CCC(C(C)C)(C(C)C)C1
InChIInChI=1S/C12H25N/c1-6-13-8-7-12(9-13,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyBHAKCLODSSVRFY-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of 1-ethyl-3,3-di(propan-2-yl)pyrrolidine (CID 58745653) is 1-ethyl-3,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 1-ethyl-3,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 1-ethyl-3,3-di(propan-2-yl)pyrrolidine is CCN1CCC(C(C)C)(C(C)C)C1.
What is the InChIKey of 1-ethyl-3,3-di(propan-2-yl)pyrrolidine?
The InChIKey is BHAKCLODSSVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-13-8-7-12(9-13,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-ethyl-3,3-di(propan-2-yl)pyrrolidine?
1-ethyl-3,3-di(propan-2-yl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58745653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).