2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol

C16H36N2O3 — CID 146582982

IUPAC2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol
SMILESCOC(C)(C)CCOC(C)(C)CCCNCCNCCO
InChIInChI=1S/C16H36N2O3/c1-15(2,20-5)8-14-21-16(3,4)7-6-9-17-10-11-18-12-13-19/h17-19H,6-14H2,1-5H3
InChIKeyVQEPQBKCWDIONI-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.55
Rot. Bonds14

About 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol

2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol (PubChem CID 146582982) has the molecular formula C16H36N2O3 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol
PubChem CID146582982
Molecular FormulaC16H36N2O3
Molecular Weight304.48 g/mol
Exact Mass304.27
IUPAC Name2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol
SMILESCOC(C)(C)CCOC(C)(C)CCCNCCNCCO
InChIInChI=1S/C16H36N2O3/c1-15(2,20-5)8-14-21-16(3,4)7-6-9-17-10-11-18-12-13-19/h17-19H,6-14H2,1-5H3
InChIKeyVQEPQBKCWDIONI-UHFFFAOYSA-N
XLogP1.55
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol with MolForge

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Related Compounds

4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
N-(2,2-difluoroethyl)-3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
CID 167259777
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
7-methoxy-7-methyloctan-1-ol
CID 175444354
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]-N-tetradecyltetradecan-1-amine
CID 167283849
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3,4,5,6-tetrahydroxy-1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]hexan-2-one
CID 91614471

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol?
The IUPAC name of 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol (CID 146582982) is 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol is COC(C)(C)CCOC(C)(C)CCCNCCNCCO.
What is the InChIKey of 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol?
The InChIKey is VQEPQBKCWDIONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O3/c1-15(2,20-5)8-14-21-16(3,4)7-6-9-17-10-11-18-12-13-19/h17-19H,6-14H2,1-5H3.
What are the key properties of 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol?
2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol has a molecular weight of 304.48 g/mol, XLogP of 1.55, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]amino]ethylamino]ethanol is sourced from PubChem (CID 146582982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).