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

C13H29NO4 — CID 104560543

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

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

N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine (PubChem CID 104560543) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
PubChem CID104560543
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC NameN-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
SMILESCCNC(CC)COCCOCCOCCOC
InChIInChI=1S/C13H29NO4/c1-4-13(14-5-2)12-18-11-10-17-9-8-16-7-6-15-3/h13-14H,4-12H2,1-3H3
InChIKeyDVXXPYVRVBHIFA-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

N-ethyl-1-(2-methoxyethoxy)-4,6-dimethylheptan-2-amine
CID 114201763
N-ethyl-1-pentoxybutan-2-amine
CID 62038519
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
N-ethyl-1-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955028
N-ethyl-5-ethylsulfonyl-1-(2-methoxyethoxy)pentan-2-amine
CID 114032839
N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
CID 102928377
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
N-ethyl-1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 107506939
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
triethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phosphanium
CID 149435050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine?
The IUPAC name of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine (CID 104560543) is N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine.
What is the SMILES notation for N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine?
The canonical SMILES for N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine is CCNC(CC)COCCOCCOCCOC.
What is the InChIKey of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine?
The InChIKey is DVXXPYVRVBHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-4-13(14-5-2)12-18-11-10-17-9-8-16-7-6-15-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine?
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-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-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine is sourced from PubChem (CID 104560543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).