2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol

C12H23NO3 — CID 106187432

IUPAC2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1C2CCOC2C1(C)C
InChIInChI=1S/C12H23NO3/c1-12(2)10(9-4-5-16-11(9)12)13-8(6-14)7-15-3/h8-11,13-14H,4-7H2,1-3H3
InChIKeyNJOORNXZSISTLP-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.40
Rot. Bonds5

About 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol

2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106187432) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
PubChem CID106187432
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1C2CCOC2C1(C)C
InChIInChI=1S/C12H23NO3/c1-12(2)10(9-4-5-16-11(9)12)13-8(6-14)7-15-3/h8-11,13-14H,4-7H2,1-3H3
InChIKeyNJOORNXZSISTLP-UHFFFAOYSA-N
XLogP0.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol with MolForge

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Related Compounds

2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-3-methoxypropan-1-ol
CID 114155618
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862954
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-1-ol
CID 65034487
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
CID 113352258
(2R)-2-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)butan-1-ol
CID 103922423
methyl 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methylpentanoate
CID 64865063
(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
CID 103921748
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179

Frequently Asked Questions

What is the IUPAC name of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol (CID 106187432) is 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol is COCC(CO)NC1C2CCOC2C1(C)C.
What is the InChIKey of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is NJOORNXZSISTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)10(9-4-5-16-11(9)12)13-8(6-14)7-15-3/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol?
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).