3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

C15H32N2O2 — CID 81093588

IUPAC3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCOC(CCNCC1CCN(C(C)C)C1)OCC
InChIInChI=1S/C15H32N2O2/c1-5-18-15(19-6-2)7-9-16-11-14-8-10-17(12-14)13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyMLRHVOGTKKORJP-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.10
Rot. Bonds10

About 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 81093588) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID81093588
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCOC(CCNCC1CCN(C(C)C)C1)OCC
InChIInChI=1S/C15H32N2O2/c1-5-18-15(19-6-2)7-9-16-11-14-8-10-17(12-14)13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyMLRHVOGTKKORJP-UHFFFAOYSA-N
XLogP2.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 81093588) is 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is CCOC(CCNCC1CCN(C(C)C)C1)OCC.
What is the InChIKey of 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is MLRHVOGTKKORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-18-15(19-6-2)7-9-16-11-14-8-10-17(12-14)13(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 81093588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).