(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine

C9H21NO2 — CID 106447202

IUPAC(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
SMILESCC(C)COCCOC[C@H](C)N
InChIInChI=1S/C9H21NO2/c1-8(2)6-11-4-5-12-7-9(3)10/h8-9H,4-7,10H2,1-3H3/t9-/m0/s1
InChIKeyOMTHLYLHRXIBPB-VIFPVBQESA-N
MW175.27 g/mol
LogP1.02
Rot. Bonds7

About (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine

(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine (PubChem CID 106447202) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
PubChem CID106447202
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
SMILESCC(C)COCCOC[C@H](C)N
InChIInChI=1S/C9H21NO2/c1-8(2)6-11-4-5-12-7-9(3)10/h8-9H,4-7,10H2,1-3H3/t9-/m0/s1
InChIKeyOMTHLYLHRXIBPB-VIFPVBQESA-N
XLogP1.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.02
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

1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-amine;methane;yttrium
CID 159748487
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
2-(2-methylpropoxy)ethyl acetate
CID 520944

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
The IUPAC name of (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine (CID 106447202) is (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine is CC(C)COCCOC[C@H](C)N.
What is the InChIKey of (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
The InChIKey is OMTHLYLHRXIBPB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2)6-11-4-5-12-7-9(3)10/h8-9H,4-7,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine?
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine is sourced from PubChem (CID 106447202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).