[1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine

C12H26N2O2 — CID 63628607

IUPAC[1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine
SMILESCCOC(CCN1CCC(CN)C1)OCC
InChIInChI=1S/C12H26N2O2/c1-3-15-12(16-4-2)6-8-14-7-5-11(9-13)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyWXAKXBNAXYBJJC-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.06
Rot. Bonds8

About [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine

[1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine (PubChem CID 63628607) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine
PubChem CID63628607
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name[1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine
SMILESCCOC(CCN1CCC(CN)C1)OCC
InChIInChI=1S/C12H26N2O2/c1-3-15-12(16-4-2)6-8-14-7-5-11(9-13)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyWXAKXBNAXYBJJC-UHFFFAOYSA-N
XLogP1.06
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.06
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 [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine (CID 63628607) is [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine is CCOC(CCN1CCC(CN)C1)OCC.
What is the InChIKey of [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is WXAKXBNAXYBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-15-12(16-4-2)6-8-14-7-5-11(9-13)10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine?
[1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-diethoxypropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63628607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).