2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine

C16H35NO3 — CID 104566397

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CCOCCOCCOC)CNCC(C)C
InChIInChI=1S/C16H35NO3/c1-5-6-16(14-17-13-15(2)3)7-8-19-11-12-20-10-9-18-4/h15-17H,5-14H2,1-4H3
InChIKeyGAJAMVCBDDYQGC-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.72
Rot. Bonds15

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 104566397) 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]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID104566397
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CCOCCOCCOC)CNCC(C)C
InChIInChI=1S/C16H35NO3/c1-5-6-16(14-17-13-15(2)3)7-8-19-11-12-20-10-9-18-4/h15-17H,5-14H2,1-4H3
InChIKeyGAJAMVCBDDYQGC-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.72
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

4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 62514326
2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
CID 103183286
2-(ethoxymethyl)-N-(2-methylpropyl)pentan-1-amine
CID 103984246
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]nonane
CID 150891032
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
2-cyclopentyl-5-(2-methoxyethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103412733
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine (CID 104566397) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine is CCCC(CCOCCOCCOC)CNCC(C)C.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is GAJAMVCBDDYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-5-6-16(14-17-13-15(2)3)7-8-19-11-12-20-10-9-18-4/h15-17H,5-14H2,1-4H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 2.72, 15 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]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 104566397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).