3-methyl-1-propan-2-ylpyrrolidine

C8H17N — CID 13402658

IUPAC3-methyl-1-propan-2-ylpyrrolidine
SMILESCC1CCN(C(C)C)C1
InChIInChI=1S/C8H17N/c1-7(2)9-5-4-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyAPXMRXMHWOOYMD-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.74
Rot. Bonds1

About 3-methyl-1-propan-2-ylpyrrolidine

3-methyl-1-propan-2-ylpyrrolidine (PubChem CID 13402658) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrrolidine
PubChem CID13402658
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-methyl-1-propan-2-ylpyrrolidine
SMILESCC1CCN(C(C)C)C1
InChIInChI=1S/C8H17N/c1-7(2)9-5-4-8(3)6-9/h7-8H,4-6H2,1-3H3
InChIKeyAPXMRXMHWOOYMD-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-methyl-1-propan-2-ylpyrrolidine (CID 13402658) is 3-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrrolidine is CC1CCN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is APXMRXMHWOOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)9-5-4-8(3)6-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylpyrrolidine?
3-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 13402658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).