2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

C12H26N2O2 — CID 63696360

IUPAC2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOC(CNCC1CCN(C(C)C)C1)OC
InChIInChI=1S/C12H26N2O2/c1-10(2)14-6-5-11(9-14)7-13-8-12(15-3)16-4/h10-13H,5-9H2,1-4H3
InChIKeyKFKYOPBZEKMGKV-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.93
Rot. Bonds7

About 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine

2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 63696360) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID63696360
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOC(CNCC1CCN(C(C)C)C1)OC
InChIInChI=1S/C12H26N2O2/c1-10(2)14-6-5-11(9-14)7-13-8-12(15-3)16-4/h10-13H,5-9H2,1-4H3
InChIKeyKFKYOPBZEKMGKV-UHFFFAOYSA-N
XLogP0.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine (CID 63696360) is 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is COC(CNCC1CCN(C(C)C)C1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is KFKYOPBZEKMGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)14-6-5-11(9-14)7-13-8-12(15-3)16-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine?
2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63696360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).