2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen

C22H41NO5 — CID 177320418

IUPAC2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
SMILESCCC(C)CNCCOCCOCCOCCOCCCOc1ccccc1.[H][H]
InChIInChI=1S/C22H39NO5.H2/c1-3-21(2)20-23-10-13-25-15-17-27-19-18-26-16-14-24-11-7-12-28-22-8-5-4-6-9-22;/h4-6,8-9,21,23H,3,7,10-20H2,1-2H3;1H
InChIKeyUFYHKTLYMOOFHX-UHFFFAOYSA-N
MW399.57 g/mol
LogP3.40
Rot. Bonds20

About 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen

2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen (PubChem CID 177320418) has the molecular formula C22H41NO5 and a molecular weight of 399.57 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
PubChem CID177320418
Molecular FormulaC22H41NO5
Molecular Weight399.57 g/mol
Exact Mass399.30
IUPAC Name2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
SMILESCCC(C)CNCCOCCOCCOCCOCCCOc1ccccc1.[H][H]
InChIInChI=1S/C22H39NO5.H2/c1-3-21(2)20-23-10-13-25-15-17-27-19-18-26-16-14-24-11-7-12-28-22-8-5-4-6-9-22;/h4-6,8-9,21,23H,3,7,10-20H2,1-2H3;1H
InChIKeyUFYHKTLYMOOFHX-UHFFFAOYSA-N
XLogP3.40
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
2-methyl-6-phenoxy-N-propylhexan-1-amine
CID 64664128
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen (CID 177320418) is 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen is CCC(C)CNCCOCCOCCOCCOCCCOc1ccccc1.[H][H].
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The InChIKey is UFYHKTLYMOOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO5.H2/c1-3-21(2)20-23-10-13-25-15-17-27-19-18-26-16-14-24-11-7-12-28-22-8-5-4-6-9-22;/h4-6,8-9,21,23H,3,7,10-20H2,1-2H3;1H.
What are the key properties of 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen has a molecular weight of 399.57 g/mol, XLogP of 3.40, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen is sourced from PubChem (CID 177320418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).