2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine

C15H31NO5 — CID 104567121

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCOCCOCCOCCOC(C)CNCC1CCCO1
InChIInChI=1S/C15H31NO5/c1-14(12-16-13-15-4-3-5-21-15)20-11-10-19-9-8-18-7-6-17-2/h14-16H,3-13H2,1-2H3
InChIKeyRIBSAVQISGZXCK-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.84
Rot. Bonds14

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 104567121) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID104567121
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCOCCOCCOCCOC(C)CNCC1CCCO1
InChIInChI=1S/C15H31NO5/c1-14(12-16-13-15-4-3-5-21-15)20-11-10-19-9-8-18-7-6-17-2/h14-16H,3-13H2,1-2H3
InChIKeyRIBSAVQISGZXCK-UHFFFAOYSA-N
XLogP0.84
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.84
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-(cyclohexylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093361
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 65023581
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine (CID 104567121) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine is COCCOCCOCCOC(C)CNCC1CCCO1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is RIBSAVQISGZXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-14(12-16-13-15-4-3-5-21-15)20-11-10-19-9-8-18-7-6-17-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 0.84, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 104567121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).