2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine

C16H35NO3 — CID 104566543

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CCOCCOCCOC)CNC(C)C
InChIInChI=1S/C16H35NO3/c1-6-7-16(4,14-17-15(2)3)8-9-19-12-13-20-11-10-18-5/h15,17H,6-14H2,1-5H3
InChIKeyCZWMJKCCVMIMPC-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.86
Rot. Bonds14

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 104566543) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID104566543
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
SMILESCCCC(C)(CCOCCOCCOC)CNC(C)C
InChIInChI=1S/C16H35NO3/c1-6-7-16(4,14-17-15(2)3)8-9-19-12-13-20-11-10-18-5/h15,17H,6-14H2,1-5H3
InChIKeyCZWMJKCCVMIMPC-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.86
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

2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
2-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62723212
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62724021
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63508559
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865
1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine (CID 104566543) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine is CCCC(C)(CCOCCOCCOC)CNC(C)C.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is CZWMJKCCVMIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-6-7-16(4,14-17-15(2)3)8-9-19-12-13-20-11-10-18-5/h15,17H,6-14H2,1-5H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 2.86, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 104566543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).