N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine

C14H31NO4 — CID 88541962

IUPACN-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCCC(OCC)OCC)OCC
InChIInChI=1S/C14H31NO4/c1-5-16-13(17-6-2)9-11-15-12-10-14(18-7-3)19-8-4/h13-15H,5-12H2,1-4H3
InChIKeyKHROONGOSYUOFD-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.15
Rot. Bonds14

About N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine

N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine (PubChem CID 88541962) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
PubChem CID88541962
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC NameN-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCCC(OCC)OCC)OCC
InChIInChI=1S/C14H31NO4/c1-5-16-13(17-6-2)9-11-15-12-10-14(18-7-3)19-8-4/h13-15H,5-12H2,1-4H3
InChIKeyKHROONGOSYUOFD-UHFFFAOYSA-N
XLogP2.15
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.15
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-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine (CID 88541962) is N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine is CCOC(CCNCCC(OCC)OCC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine?
The InChIKey is KHROONGOSYUOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-5-16-13(17-6-2)9-11-15-12-10-14(18-7-3)19-8-4/h13-15H,5-12H2,1-4H3.
What are the key properties of N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine?
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 2.15, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 88541962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).