(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C9H17NO — CID 95241136

IUPAC(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
InChIInChI=1S/C9H17NO/c1-9(2)7(10-3)6-4-5-11-8(6)9/h6-8,10H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyXUMSRIRVMBFJAI-PRJMDXOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds1

About (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 95241136) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID95241136
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
InChIInChI=1S/C9H17NO/c1-9(2)7(10-3)6-4-5-11-8(6)9/h6-8,10H,4-5H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyXUMSRIRVMBFJAI-PRJMDXOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
(1S,5S)-N-(2-bromoprop-2-enyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 130646138
N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906207
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906414
7,7-dimethyl-N-[(1-methylcyclopentyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865667
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-4-methylpentan-2-ol
CID 103921148
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864668

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 95241136) is (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C.
What is the InChIKey of (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is XUMSRIRVMBFJAI-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)7(10-3)6-4-5-11-8(6)9/h6-8,10H,4-5H2,1-3H3/t6-,7-,8+/m1/s1.
What are the key properties of (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 155.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 95241136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).