1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol

C12H27NO3 — CID 103182794

IUPAC1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCOCCCOC)CC(C)(C)O
InChIInChI=1S/C12H27NO3/c1-5-13(11-12(2,3)14)7-10-16-9-6-8-15-4/h14H,5-11H2,1-4H3
InChIKeyWFDIKFGNRKIBHI-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.13
Rot. Bonds10

About 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol

1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 103182794) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
PubChem CID103182794
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCOCCCOC)CC(C)(C)O
InChIInChI=1S/C12H27NO3/c1-5-13(11-12(2,3)14)7-10-16-9-6-8-15-4/h14H,5-11H2,1-4H3
InChIKeyWFDIKFGNRKIBHI-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol 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

3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 107489026
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol (CID 103182794) is 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol is CCN(CCOCCCOC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is WFDIKFGNRKIBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-13(11-12(2,3)14)7-10-16-9-6-8-15-4/h14H,5-11H2,1-4H3.
What are the key properties of 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 103182794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).