1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol

C13H30N2O2 — CID 115475349

IUPAC1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
SMILESCCOCCN(CC)CC(O)CNC(C)(C)C
InChIInChI=1S/C13H30N2O2/c1-6-15(8-9-17-7-2)11-12(16)10-14-13(3,4)5/h12,14,16H,6-11H2,1-5H3
InChIKeyVDGUHDKQLRLVKT-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.09
Rot. Bonds9

About 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol

1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol (PubChem CID 115475349) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
PubChem CID115475349
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
SMILESCCOCCN(CC)CC(O)CNC(C)(C)C
InChIInChI=1S/C13H30N2O2/c1-6-15(8-9-17-7-2)11-12(16)10-14-13(3,4)5/h12,14,16H,6-11H2,1-5H3
InChIKeyVDGUHDKQLRLVKT-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-N-tert-butyl-2-N,2-N-bis(2-ethoxyethyl)propane-1,2-diamine
CID 82953132
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N-[2-[2-(diethylamino)ethoxy]propyl]-2-methylpropan-2-amine
CID 62460409
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 115475061
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 63691778
1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
CID 115475087
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 82952304

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol (CID 115475349) is 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol is CCOCCN(CC)CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol?
The InChIKey is VDGUHDKQLRLVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-6-15(8-9-17-7-2)11-12(16)10-14-13(3,4)5/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol?
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 115475349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).