1,3,3-trimethyl-4-propan-2-ylpyrrolidine

C10H21N — CID 58945036

IUPAC1,3,3-trimethyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)CC1(C)C
InChIInChI=1S/C10H21N/c1-8(2)9-6-11(5)7-10(9,3)4/h8-9H,6-7H2,1-5H3
InChIKeyOEDNBJJUCADPBG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.23
Rot. Bonds1

About 1,3,3-trimethyl-4-propan-2-ylpyrrolidine

1,3,3-trimethyl-4-propan-2-ylpyrrolidine (PubChem CID 58945036) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,3,3-trimethyl-4-propan-2-ylpyrrolidine
PubChem CID58945036
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,3,3-trimethyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)CC1(C)C
InChIInChI=1S/C10H21N/c1-8(2)9-6-11(5)7-10(9,3)4/h8-9H,6-7H2,1-5H3
InChIKeyOEDNBJJUCADPBG-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-propan-2-ylpyrrolidine?
The IUPAC name of 1,3,3-trimethyl-4-propan-2-ylpyrrolidine (CID 58945036) is 1,3,3-trimethyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,3,3-trimethyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for 1,3,3-trimethyl-4-propan-2-ylpyrrolidine is CC(C)C1CN(C)CC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-4-propan-2-ylpyrrolidine?
The InChIKey is OEDNBJJUCADPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)9-6-11(5)7-10(9,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-4-propan-2-ylpyrrolidine?
1,3,3-trimethyl-4-propan-2-ylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 58945036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).