5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol

C14H27NO2 — CID 113352258

IUPAC5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C14H27NO2/c1-10(9-16)5-4-7-15-12-11-6-8-17-13(11)14(12,2)3/h10-13,15-16H,4-9H2,1-3H3
InChIKeyMYHVGWIIAKOSKA-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.80
Rot. Bonds6

About 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol

5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol (PubChem CID 113352258) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
PubChem CID113352258
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C14H27NO2/c1-10(9-16)5-4-7-15-12-11-6-8-17-13(11)14(12,2)3/h10-13,15-16H,4-9H2,1-3H3
InChIKeyMYHVGWIIAKOSKA-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol with MolForge

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Related Compounds

3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-1-ol
CID 65034487
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
7,7-dimethyl-N-(3-methylsulfanylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863345
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
7,7-dimethyl-N-(4-methylsulfanylbutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115905849
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
7,7-dimethyl-N-[2-(3-methylbutoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865661
N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862954
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
CID 106187432

Frequently Asked Questions

What is the IUPAC name of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol (CID 113352258) is 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol is CC(CO)CCCNC1C2CCOC2C1(C)C.
What is the InChIKey of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol?
The InChIKey is MYHVGWIIAKOSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(9-16)5-4-7-15-12-11-6-8-17-13(11)14(12,2)3/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol?
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 113352258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).