[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine

C15H30N2O2 — CID 106663296

IUPAC[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCOC1CN(C2(CN)CC(C)(C)CC2C)CC1OC
InChIInChI=1S/C15H30N2O2/c1-11-6-14(2,3)9-15(11,10-16)17-7-12(18-4)13(8-17)19-5/h11-13H,6-10,16H2,1-5H3
InChIKeyUCUGLTACJCHQQW-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.49
Rot. Bonds4

About [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine

[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine (PubChem CID 106663296) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
PubChem CID106663296
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCOC1CN(C2(CN)CC(C)(C)CC2C)CC1OC
InChIInChI=1S/C15H30N2O2/c1-11-6-14(2,3)9-15(11,10-16)17-7-12(18-4)13(8-17)19-5/h11-13H,6-10,16H2,1-5H3
InChIKeyUCUGLTACJCHQQW-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine 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-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine (CID 106663296) is [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine is COC1CN(C2(CN)CC(C)(C)CC2C)CC1OC.
What is the InChIKey of [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The InChIKey is UCUGLTACJCHQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11-6-14(2,3)9-15(11,10-16)17-7-12(18-4)13(8-17)19-5/h11-13H,6-10,16H2,1-5H3.
What are the key properties of [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine has a molecular weight of 270.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine is sourced from PubChem (CID 106663296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).