1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol

C12H27NO2 — CID 106456234

IUPAC1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCOCC(C)C)CC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-6-13(10-12(4,5)14)7-8-15-9-11(2)3/h11,14H,6-10H2,1-5H3
InChIKeyQKTPVDUYDWXKSS-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.75
Rot. Bonds8

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

1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol (PubChem CID 106456234) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
PubChem CID106456234
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCOCC(C)C)CC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-6-13(10-12(4,5)14)7-8-15-9-11(2)3/h11,14H,6-10H2,1-5H3
InChIKeyQKTPVDUYDWXKSS-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 103182794
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
1-[ethyl-[2-(propan-2-ylamino)ethyl]amino]-2-methylpropan-2-ol
CID 79389739
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
CID 106453223
1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 114448993
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
CID 66453452

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol (CID 106456234) is 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol is CCN(CCOCC(C)C)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol?
The InChIKey is QKTPVDUYDWXKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-13(10-12(4,5)14)7-8-15-9-11(2)3/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106456234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).