1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol

C14H29NO3 — CID 64851584

IUPAC1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO3/c1-10(2)8-18-13-6-12(14(13,3)4)15-7-11(16)9-17-5/h10-13,15-16H,6-9H2,1-5H3
InChIKeyJESYOOXZYYVNEQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.42
Rot. Bonds8

About 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol

1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol (PubChem CID 64851584) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol
PubChem CID64851584
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C14H29NO3/c1-10(2)8-18-13-6-12(14(13,3)4)15-7-11(16)9-17-5/h10-13,15-16H,6-9H2,1-5H3
InChIKeyJESYOOXZYYVNEQ-UHFFFAOYSA-N
XLogP1.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol (CID 64851584) is 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol is COCC(O)CNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol?
The InChIKey is JESYOOXZYYVNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-10(2)8-18-13-6-12(14(13,3)4)15-7-11(16)9-17-5/h10-13,15-16H,6-9H2,1-5H3.
What are the key properties of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol?
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 64851584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).