(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine

C13H29NO4 — CID 104560995

IUPAC(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
SMILESCCCCOCCOCCOCCOC[C@@H](C)N
InChIInChI=1S/C13H29NO4/c1-3-4-5-15-6-7-16-8-9-17-10-11-18-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKeyDTAPSOSCCIWXCB-CYBMUJFWSA-N
MW263.38 g/mol
LogP1.20
Rot. Bonds14

About (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine

(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine (PubChem CID 104560995) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
PubChem CID104560995
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
SMILESCCCCOCCOCCOCCOC[C@@H](C)N
InChIInChI=1S/C13H29NO4/c1-3-4-5-15-6-7-16-8-9-17-10-11-18-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
InChIKeyDTAPSOSCCIWXCB-CYBMUJFWSA-N
XLogP1.20
TPSA62.94 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 ≤ 51.20
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

1-(2-butoxyethoxy)propan-2-amine
CID 43127528
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
1-[3-(3-aminopropoxy)propoxy]propan-2-amine
CID 138696383
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
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
aluminum;1-butoxybutane;hydride
CID 174684135
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-thiol
CID 104568101
3-(2-butoxyethoxy)butan-2-amine
CID 61351775

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine?
The IUPAC name of (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine (CID 104560995) is (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine is CCCCOCCOCCOCCOC[C@@H](C)N.
What is the InChIKey of (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine?
The InChIKey is DTAPSOSCCIWXCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29NO4/c1-3-4-5-15-6-7-16-8-9-17-10-11-18-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine?
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.20, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine is sourced from PubChem (CID 104560995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).