N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H25NO2 — CID 64862954

IUPACN-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOCC(C)CNC1C2CCOC2C1(C)C
InChIInChI=1S/C13H25NO2/c1-9(8-15-4)7-14-11-10-5-6-16-12(10)13(11,2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyJBJIJHCQMRLOQJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.67
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64862954) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64862954
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOCC(C)CNC1C2CCOC2C1(C)C
InChIInChI=1S/C13H25NO2/c1-9(8-15-4)7-14-11-10-5-6-16-12(10)13(11,2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyJBJIJHCQMRLOQJ-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
CID 106187432
1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-4-methylpentan-2-ol
CID 103921148
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
CID 113352258
7,7-dimethyl-N-[2-(3-methylbutoxy)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865661
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
8,8-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865180
N-(2-ethylhexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870264
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-3-methoxypropan-1-ol
CID 114155618

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64862954) is N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COCC(C)CNC1C2CCOC2C1(C)C.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is JBJIJHCQMRLOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(8-15-4)7-14-11-10-5-6-16-12(10)13(11,2)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 227.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64862954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).