(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine

C9H21NO2 — CID 103939491

IUPAC(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
SMILESC[C@H](N)COCCOC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-8(10)7-11-5-6-12-9(2,3)4/h8H,5-7,10H2,1-4H3/t8-/m0/s1
InChIKeyLSRUKCZMJPWCKI-QMMMGPOBSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds5

About (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine

(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine (PubChem CID 103939491) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
PubChem CID103939491
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
SMILESC[C@H](N)COCCOC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-8(10)7-11-5-6-12-9(2,3)4/h8H,5-7,10H2,1-4H3/t8-/m0/s1
InChIKeyLSRUKCZMJPWCKI-QMMMGPOBSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
1-bromo-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
CID 112587518
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
1-[2-(1-aminoethoxy)ethoxy]propan-2-amine
CID 153419048
1-[(2-methylpropan-2-yl)oxy]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-ol
CID 155627567
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentan-2-amine
CID 112587358
2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
The IUPAC name of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine (CID 103939491) is (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine is C[C@H](N)COCCOC(C)(C)C.
What is the InChIKey of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
The InChIKey is LSRUKCZMJPWCKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(10)7-11-5-6-12-9(2,3)4/h8H,5-7,10H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine?
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine is sourced from PubChem (CID 103939491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).