(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol

C12H25NO2 — CID 98870358

IUPAC(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol
SMILESCCC1(CC)[C@@H](OC)C[C@H]1NC[C@H](C)O
InChIInChI=1S/C12H25NO2/c1-5-12(6-2)10(7-11(12)15-4)13-8-9(3)14/h9-11,13-14H,5-8H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyYKJRALUXLKEMFP-AXFHLTTASA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol

(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol (PubChem CID 98870358) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol
PubChem CID98870358
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol
SMILESCCC1(CC)[C@@H](OC)C[C@H]1NC[C@H](C)O
InChIInChI=1S/C12H25NO2/c1-5-12(6-2)10(7-11(12)15-4)13-8-9(3)14/h9-11,13-14H,5-8H2,1-4H3/t9-,10+,11-/m0/s1
InChIKeyYKJRALUXLKEMFP-AXFHLTTASA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol (CID 98870358) is (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol is CCC1(CC)[C@@H](OC)C[C@H]1NC[C@H](C)O.
What is the InChIKey of (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol?
The InChIKey is YKJRALUXLKEMFP-AXFHLTTASA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(6-2)10(7-11(12)15-4)13-8-9(3)14/h9-11,13-14H,5-8H2,1-4H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol?
(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol is sourced from PubChem (CID 98870358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).