1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine

C11H21N — CID 89377744

IUPAC1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
SMILESCNCC1CCC2C[C@@H]1C2(C)C
InChIInChI=1S/C11H21N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyFIRNORACHPUOFJ-RTBKNWGFSA-N
MW167.30 g/mol
LogP2.28
Rot. Bonds2

About 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine

1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine (PubChem CID 89377744) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
PubChem CID89377744
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
SMILESCNCC1CCC2C[C@@H]1C2(C)C
InChIInChI=1S/C11H21N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyFIRNORACHPUOFJ-RTBKNWGFSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine?
The IUPAC name of 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine (CID 89377744) is 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine is CNCC1CCC2C[C@@H]1C2(C)C.
What is the InChIKey of 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine?
The InChIKey is FIRNORACHPUOFJ-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine?
1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine is sourced from PubChem (CID 89377744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).