N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine

C11H23NO4 — CID 22766277

IUPACN-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC1OCCO1)OCC
InChIInChI=1S/C11H23NO4/c1-3-13-10(14-4-2)5-6-12-9-11-15-7-8-16-11/h10-12H,3-9H2,1-2H3
InChIKeyPTSWUFGWQPENTR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.74
Rot. Bonds9

About N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine

N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine (PubChem CID 22766277) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine
PubChem CID22766277
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC1OCCO1)OCC
InChIInChI=1S/C11H23NO4/c1-3-13-10(14-4-2)5-6-12-9-11-15-7-8-16-11/h10-12H,3-9H2,1-2H3
InChIKeyPTSWUFGWQPENTR-UHFFFAOYSA-N
XLogP0.74
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine (CID 22766277) is N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine is CCOC(CCNCC1OCCO1)OCC.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine?
The InChIKey is PTSWUFGWQPENTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-13-10(14-4-2)5-6-12-9-11-15-7-8-16-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine?
N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 22766277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).