(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine

C12H23N — CID 123796578

IUPAC(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine
SMILESCC1CC2C(C)C(C)(C)C2C1CN
InChIInChI=1S/C12H23N/c1-7-5-9-8(2)12(3,4)11(9)10(7)6-13/h7-11H,5-6,13H2,1-4H3
InChIKeyRHOMVXOZPQBEGI-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.51
Rot. Bonds1

About (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine

(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine (PubChem CID 123796578) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine.

Molecular Properties

Compound Name(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine
PubChem CID123796578
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine
SMILESCC1CC2C(C)C(C)(C)C2C1CN
InChIInChI=1S/C12H23N/c1-7-5-9-8(2)12(3,4)11(9)10(7)6-13/h7-11H,5-6,13H2,1-4H3
InChIKeyRHOMVXOZPQBEGI-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine?
The IUPAC name of (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine (CID 123796578) is (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine.
What is the SMILES notation for (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine?
The canonical SMILES for (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine is CC1CC2C(C)C(C)(C)C2C1CN.
What is the InChIKey of (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine?
The InChIKey is RHOMVXOZPQBEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-7-5-9-8(2)12(3,4)11(9)10(7)6-13/h7-11H,5-6,13H2,1-4H3.
What are the key properties of (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine?
(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine is sourced from PubChem (CID 123796578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).