(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene

C9H21NO2 — CID 142354047

IUPAC(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene
SMILESC=CC.COCCOC[C@H](C)N
InChIInChI=1S/C6H15NO2.C3H6/c1-6(7)5-9-4-3-8-2;1-3-2/h6H,3-5,7H2,1-2H3;3H,1H2,2H3/t6-;/m0./s1
InChIKeyBHEAPNQKSJHQEF-RGMNGODLSA-N
MW175.27 g/mol
LogP1.19
Rot. Bonds5

About (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene

(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene (PubChem CID 142354047) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene.

Molecular Properties

Compound Name(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene
PubChem CID142354047
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene
SMILESC=CC.COCCOC[C@H](C)N
InChIInChI=1S/C6H15NO2.C3H6/c1-6(7)5-9-4-3-8-2;1-3-2/h6H,3-5,7H2,1-2H3;3H,1H2,2H3/t6-;/m0./s1
InChIKeyBHEAPNQKSJHQEF-RGMNGODLSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene?
The IUPAC name of (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene (CID 142354047) is (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene.
What is the SMILES notation for (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene?
The canonical SMILES for (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene is C=CC.COCCOC[C@H](C)N.
What is the InChIKey of (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene?
The InChIKey is BHEAPNQKSJHQEF-RGMNGODLSA-N. The full InChI is InChI=1S/C6H15NO2.C3H6/c1-6(7)5-9-4-3-8-2;1-3-2/h6H,3-5,7H2,1-2H3;3H,1H2,2H3/t6-;/m0./s1.
What are the key properties of (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene?
(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene has a molecular weight of 175.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene is sourced from PubChem (CID 142354047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).