2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol

C14H28N2O2 — CID 112633253

IUPAC2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(C)(C)N1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,16-5-7-18-8-6-16)10-15-11-9-12(17)14(11,3)4/h11-12,15,17H,5-10H2,1-4H3
InChIKeyJVUNXBYLUGLDKF-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.85
Rot. Bonds4

About 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol (PubChem CID 112633253) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol
PubChem CID112633253
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(C)(C)N1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,16-5-7-18-8-6-16)10-15-11-9-12(17)14(11,3)4/h11-12,15,17H,5-10H2,1-4H3
InChIKeyJVUNXBYLUGLDKF-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol (CID 112633253) is 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol is CC1(C)C(O)CC1NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol?
The InChIKey is JVUNXBYLUGLDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,16-5-7-18-8-6-16)10-15-11-9-12(17)14(11,3)4/h11-12,15,17H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 112633253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).