N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine

C15H33NO4 — CID 3064420

IUPACN-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine
SMILESCCOC(CCN(C)CCC(OCC)OCC)OCC
InChIInChI=1S/C15H33NO4/c1-6-17-14(18-7-2)10-12-16(5)13-11-15(19-8-3)20-9-4/h14-15H,6-13H2,1-5H3
InChIKeyKFNMISUTXLMGIO-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.50
Rot. Bonds14

About N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine

N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine (PubChem CID 3064420) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine
PubChem CID3064420
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC NameN-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine
SMILESCCOC(CCN(C)CCC(OCC)OCC)OCC
InChIInChI=1S/C15H33NO4/c1-6-17-14(18-7-2)10-12-16(5)13-11-15(19-8-3)20-9-4/h14-15H,6-13H2,1-5H3
InChIKeyKFNMISUTXLMGIO-UHFFFAOYSA-N
XLogP2.50
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine (CID 3064420) is N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine is CCOC(CCN(C)CCC(OCC)OCC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine?
The InChIKey is KFNMISUTXLMGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-6-17-14(18-7-2)10-12-16(5)13-11-15(19-8-3)20-9-4/h14-15H,6-13H2,1-5H3.
What are the key properties of N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine?
N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 2.50, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-3,3-diethoxy-N-methylpropan-1-amine is sourced from PubChem (CID 3064420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).