N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine

C12H27NO3 — CID 63619186

IUPACN-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
SMILESCCOC(CN(CC)C(C)COC)OCC
InChIInChI=1S/C12H27NO3/c1-6-13(11(4)10-14-5)9-12(15-7-2)16-8-3/h11-12H,6-10H2,1-5H3
InChIKeyROSHFLYVPTYJJC-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.74
Rot. Bonds10

About N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine

N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine (PubChem CID 63619186) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
PubChem CID63619186
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC NameN-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine
SMILESCCOC(CN(CC)C(C)COC)OCC
InChIInChI=1S/C12H27NO3/c1-6-13(11(4)10-14-5)9-12(15-7-2)16-8-3/h11-12H,6-10H2,1-5H3
InChIKeyROSHFLYVPTYJJC-UHFFFAOYSA-N
XLogP1.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-diethoxyethyl)-N-(2-methoxyethyl)pentan-3-amine
CID 63618872
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
N'-ethyl-2-methoxy-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 106114714
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
CID 64997501
N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62427389
2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
CID 63619203
1-cyclohexyl-2-[ethyl(1-methoxypropan-2-yl)amino]ethanol
CID 113449107
N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63618860
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
CID 62618075
N-(cyclopropylmethyl)-N-(2,2-diethoxyethyl)propan-2-amine
CID 63619184
6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 62227074
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine (CID 63619186) is N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine is CCOC(CN(CC)C(C)COC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is ROSHFLYVPTYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-6-13(11(4)10-14-5)9-12(15-7-2)16-8-3/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine?
N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 63619186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).