[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine

C12H23N — CID 89383572

IUPAC[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine
SMILESCC(C)C1(C)C(CN)[C@H]2C1C[C@H]2C
InChIInChI=1S/C12H23N/c1-7(2)12(4)9-5-8(3)11(9)10(12)6-13/h7-11H,5-6,13H2,1-4H3/t8-,9?,10?,11-,12?/m1/s1
InChIKeyFNLAWUUDFJSRKH-FTLHOPIBSA-N
MW181.32 g/mol
LogP2.51
Rot. Bonds2

About [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine

[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine (PubChem CID 89383572) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine.

Molecular Properties

Compound Name[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine
PubChem CID89383572
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine
SMILESCC(C)C1(C)C(CN)[C@H]2C1C[C@H]2C
InChIInChI=1S/C12H23N/c1-7(2)12(4)9-5-8(3)11(9)10(12)6-13/h7-11H,5-6,13H2,1-4H3/t8-,9?,10?,11-,12?/m1/s1
InChIKeyFNLAWUUDFJSRKH-FTLHOPIBSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine?
The IUPAC name of [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine (CID 89383572) is [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine.
What is the SMILES notation for [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine?
The canonical SMILES for [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine is CC(C)C1(C)C(CN)[C@H]2C1C[C@H]2C.
What is the InChIKey of [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine?
The InChIKey is FNLAWUUDFJSRKH-FTLHOPIBSA-N. The full InChI is InChI=1S/C12H23N/c1-7(2)12(4)9-5-8(3)11(9)10(12)6-13/h7-11H,5-6,13H2,1-4H3/t8-,9?,10?,11-,12?/m1/s1.
What are the key properties of [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine?
[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine is sourced from PubChem (CID 89383572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).