1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol

C15H33NO3 — CID 82952304

IUPAC1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCOCCN(CCOCC)CCC(O)C(C)(C)C
InChIInChI=1S/C15H33NO3/c1-6-18-12-10-16(11-13-19-7-2)9-8-14(17)15(3,4)5/h14,17H,6-13H2,1-5H3
InChIKeyWQJVRAIMKMWJJF-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.16
Rot. Bonds11

About 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol

1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 82952304) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID82952304
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCOCCN(CCOCC)CCC(O)C(C)(C)C
InChIInChI=1S/C15H33NO3/c1-6-18-12-10-16(11-13-19-7-2)9-8-14(17)15(3,4)5/h14,17H,6-13H2,1-5H3
InChIKeyWQJVRAIMKMWJJF-UHFFFAOYSA-N
XLogP2.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
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-(dipropylamino)-4,4-dimethylpentan-3-ol
CID 62623381
1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
CID 62624635
1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
CID 82959902
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 82965564
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
CID 115475349
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
2-[2-(2-ethoxyethoxy)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethanol
CID 90352000

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol (CID 82952304) is 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol is CCOCCN(CCOCC)CCC(O)C(C)(C)C.
What is the InChIKey of 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is WQJVRAIMKMWJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-6-18-12-10-16(11-13-19-7-2)9-8-14(17)15(3,4)5/h14,17H,6-13H2,1-5H3.
What are the key properties of 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol?
1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 275.43 g/mol, XLogP of 2.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 82952304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).