2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine

C10H24N2O3 — CID 22901827

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
SMILESCCCCOCCOCCOCC(N)N
InChIInChI=1S/C10H24N2O3/c1-2-3-4-13-5-6-14-7-8-15-9-10(11)12/h10H,2-9,11-12H2,1H3
InChIKeyCZCBYSYNOMYNMR-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.08
Rot. Bonds11

About 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine

2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine (PubChem CID 22901827) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
PubChem CID22901827
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
SMILESCCCCOCCOCCOCC(N)N
InChIInChI=1S/C10H24N2O3/c1-2-3-4-13-5-6-14-7-8-15-9-10(11)12/h10H,2-9,11-12H2,1H3
InChIKeyCZCBYSYNOMYNMR-UHFFFAOYSA-N
XLogP0.08
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
2-butoxy-1-chloroethanamine
CID 174226155
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
CID 104564633

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine (CID 22901827) is 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine is CCCCOCCOCCOCC(N)N.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine?
The InChIKey is CZCBYSYNOMYNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3/c1-2-3-4-13-5-6-14-7-8-15-9-10(11)12/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine?
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine has a molecular weight of 220.31 g/mol, XLogP of 0.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine is sourced from PubChem (CID 22901827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).