N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine

C13H29NO4 — CID 113427495

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCOCCOCCOCCNCCCOC(C)C
InChIInChI=1S/C13H29NO4/c1-13(2)18-7-4-5-14-6-8-16-11-12-17-10-9-15-3/h13-14H,4-12H2,1-3H3
InChIKeyYBJBQOQSDAZZMN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.07
Rot. Bonds14

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 113427495) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID113427495
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCOCCOCCOCCNCCCOC(C)C
InChIInChI=1S/C13H29NO4/c1-13(2)18-7-4-5-14-6-8-16-11-12-17-10-9-15-3/h13-14H,4-12H2,1-3H3
InChIKeyYBJBQOQSDAZZMN-UHFFFAOYSA-N
XLogP1.07
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.07
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

3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine (CID 113427495) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine is COCCOCCOCCNCCCOC(C)C.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is YBJBQOQSDAZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-13(2)18-7-4-5-14-6-8-16-11-12-17-10-9-15-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 1.07, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 113427495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).