4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol

C14H25NO3 — CID 81130937

IUPAC4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol
SMILESCC1(C)C(NCC2(O)CCOCC2)C2CCOC21
InChIInChI=1S/C14H25NO3/c1-13(2)11(10-3-6-18-12(10)13)15-9-14(16)4-7-17-8-5-14/h10-12,15-16H,3-9H2,1-2H3
InChIKeyDESUZINEYUKNKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.93
Rot. Bonds3

About 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol

4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol (PubChem CID 81130937) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol
PubChem CID81130937
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol
SMILESCC1(C)C(NCC2(O)CCOCC2)C2CCOC21
InChIInChI=1S/C14H25NO3/c1-13(2)11(10-3-6-18-12(10)13)15-9-14(16)4-7-17-8-5-14/h10-12,15-16H,3-9H2,1-2H3
InChIKeyDESUZINEYUKNKP-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

7,7-dimethyl-N-[(1-methylcyclopentyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865667
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906414
N-[[1-(dimethylamino)cyclobutyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105415734
1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65116585
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111459175
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111459174
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
(1S,5S)-N-(2-bromoprop-2-enyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 130646138
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-1-ol
CID 65034487

Frequently Asked Questions

What is the IUPAC name of 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol (CID 81130937) is 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol is CC1(C)C(NCC2(O)CCOCC2)C2CCOC21.
What is the InChIKey of 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol?
The InChIKey is DESUZINEYUKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2)11(10-3-6-18-12(10)13)15-9-14(16)4-7-17-8-5-14/h10-12,15-16H,3-9H2,1-2H3.
What are the key properties of 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol?
4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol has a molecular weight of 255.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).