1-(2-propoxyethoxy)butan-2-amine

C9H21NO2 — CID 63685815

IUPAC1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOCC(N)CC
InChIInChI=1S/C9H21NO2/c1-3-5-11-6-7-12-8-9(10)4-2/h9H,3-8,10H2,1-2H3
InChIKeyCHMVKEKTHHBJON-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds8

About 1-(2-propoxyethoxy)butan-2-amine

1-(2-propoxyethoxy)butan-2-amine (PubChem CID 63685815) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(2-propoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-propoxyethoxy)butan-2-amine
PubChem CID63685815
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-(2-propoxyethoxy)butan-2-amine
SMILESCCCOCCOCC(N)CC
InChIInChI=1S/C9H21NO2/c1-3-5-11-6-7-12-8-9(10)4-2/h9H,3-8,10H2,1-2H3
InChIKeyCHMVKEKTHHBJON-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2-aminobutoxy)heptan-3-amine
CID 174656192
3-methyl-1-propoxypentan-2-amine
CID 79446501
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-propoxypropan-1-amine;1-propoxypropane;hydrate
CID 88800294
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
methane;methylsulfanylmethane;2-(2-propoxyethoxy)-1-[2-(2-propoxyethoxy)ethoxy]-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)-3-[2-(2-propoxyethoxy)ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 159675079

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethoxy)butan-2-amine?
The IUPAC name of 1-(2-propoxyethoxy)butan-2-amine (CID 63685815) is 1-(2-propoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(2-propoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(2-propoxyethoxy)butan-2-amine is CCCOCCOCC(N)CC.
What is the InChIKey of 1-(2-propoxyethoxy)butan-2-amine?
The InChIKey is CHMVKEKTHHBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-5-11-6-7-12-8-9(10)4-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-(2-propoxyethoxy)butan-2-amine?
1-(2-propoxyethoxy)butan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethoxy)butan-2-amine is sourced from PubChem (CID 63685815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).