N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine

C12H28N2O2 — CID 138727595

IUPACN-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCNC(C)C
InChIInChI=1S/C12H28N2O2/c1-4-5-13-6-8-15-10-11-16-9-7-14-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyWLQMAFYNXJJTRT-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.02
Rot. Bonds12

About N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine

N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 138727595) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID138727595
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCNC(C)C
InChIInChI=1S/C12H28N2O2/c1-4-5-13-6-8-15-10-11-16-9-7-14-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyWLQMAFYNXJJTRT-UHFFFAOYSA-N
XLogP1.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-(propylamino)propyl]propanamide
CID 168959857
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-(2-decoxyethyl)propan-2-amine
CID 63399572
1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one
CID 176580900
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211
ethane;2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetaldehyde
CID 171646622
N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
CID 140945350

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine (CID 138727595) is N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCCNC(C)C.
What is the InChIKey of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is WLQMAFYNXJJTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-5-13-6-8-15-10-11-16-9-7-14-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 1.02, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 138727595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).