1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

C12H26N2 — CID 58779029

IUPAC1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1C(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)11-6-7-14(10(3)4)12(11)8-13-5/h9-13H,6-8H2,1-5H3
InChIKeyAIEJLLZBPLXHJA-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds4

About 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 58779029) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID58779029
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1C(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)11-6-7-14(10(3)4)12(11)8-13-5/h9-13H,6-8H2,1-5H3
InChIKeyAIEJLLZBPLXHJA-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (CID 58779029) is 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is CNCC1C(C(C)C)CCN1C(C)C.
What is the InChIKey of 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is AIEJLLZBPLXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)11-6-7-14(10(3)4)12(11)8-13-5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-di(propan-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 58779029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).