N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine

C15H33NO4 — CID 104567163

IUPACN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
SMILESCOCCOCCOCCOC(C)CNCCC(C)C
InChIInChI=1S/C15H33NO4/c1-14(2)5-6-16-13-15(3)20-12-11-19-10-9-18-8-7-17-4/h14-16H,5-13H2,1-4H3
InChIKeyVKNYWDZFWMPRKQ-UHFFFAOYSA-N
MW291.43 g/mol
LogP1.71
Rot. Bonds15

About N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine

N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine (PubChem CID 104567163) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
PubChem CID104567163
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC NameN-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
SMILESCOCCOCCOCCOC(C)CNCCC(C)C
InChIInChI=1S/C15H33NO4/c1-14(2)5-6-16-13-15(3)20-12-11-19-10-9-18-8-7-17-4/h14-16H,5-13H2,1-4H3
InChIKeyVKNYWDZFWMPRKQ-UHFFFAOYSA-N
XLogP1.71
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
N-(2-methoxyethyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 62571731
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
CID 115001737
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
N-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 82711034
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine (CID 104567163) is N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine is COCCOCCOCCOC(C)CNCCC(C)C.
What is the InChIKey of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine?
The InChIKey is VKNYWDZFWMPRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-14(2)5-6-16-13-15(3)20-12-11-19-10-9-18-8-7-17-4/h14-16H,5-13H2,1-4H3.
What are the key properties of N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine?
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 1.71, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 104567163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).