N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine

C12H23N — CID 130840903

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine
SMILESCCNCC1CCC2CC1C2(C)C
InChIInChI=1S/C12H23N/c1-4-13-8-9-5-6-10-7-11(9)12(10,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyGEEGWSLMVVFIEH-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds3

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine

N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine (PubChem CID 130840903) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine
PubChem CID130840903
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine
SMILESCCNCC1CCC2CC1C2(C)C
InChIInChI=1S/C12H23N/c1-4-13-8-9-5-6-10-7-11(9)12(10,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyGEEGWSLMVVFIEH-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
CID 89377744
1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane
CID 160581342
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-[(1S,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethane-1,2-diamine
CID 11573512
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
tris[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]borane
CID 14106757
tris[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]borane
CID 135048273
[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-diethylborane
CID 11830577
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
N'-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
CID 22315735
2-[bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphanyl]ethyl-bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphane
CID 11115034

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine (CID 130840903) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine is CCNCC1CCC2CC1C2(C)C.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine?
The InChIKey is GEEGWSLMVVFIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-13-8-9-5-6-10-7-11(9)12(10,2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine is sourced from PubChem (CID 130840903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).