1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol

C13H27NO3 — CID 71874332

IUPAC1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol
SMILESCCOC1CC(N(C)CC(O)COC)C1(C)C
InChIInChI=1S/C13H27NO3/c1-6-17-12-7-11(13(12,2)3)14(4)8-10(15)9-16-5/h10-12,15H,6-9H2,1-5H3
InChIKeyOSTWVPVNCLPQQW-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.13
Rot. Bonds7

About 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol

1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 71874332) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol
PubChem CID71874332
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol
SMILESCCOC1CC(N(C)CC(O)COC)C1(C)C
InChIInChI=1S/C13H27NO3/c1-6-17-12-7-11(13(12,2)3)14(4)8-10(15)9-16-5/h10-12,15H,6-9H2,1-5H3
InChIKeyOSTWVPVNCLPQQW-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol (CID 71874332) is 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol is CCOC1CC(N(C)CC(O)COC)C1(C)C.
What is the InChIKey of 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is OSTWVPVNCLPQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-17-12-7-11(13(12,2)3)14(4)8-10(15)9-16-5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol?
1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 71874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).