3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine

C12H23N — CID 89222977

IUPAC3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)CC1CC2CC[C@H]1C2
InChIInChI=1S/C12H23N/c1-12(2,8-13)7-11-6-9-3-4-10(11)5-9/h9-11H,3-8,13H2,1-2H3/t9?,10-,11?/m0/s1
InChIKeyXYPGPSOOOPOUHY-YVNMAJEFSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds3

About 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine

3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine (PubChem CID 89222977) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
PubChem CID89222977
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)CC1CC2CC[C@H]1C2
InChIInChI=1S/C12H23N/c1-12(2,8-13)7-11-6-9-3-4-10(11)5-9/h9-11H,3-8,13H2,1-2H3/t9?,10-,11?/m0/s1
InChIKeyXYPGPSOOOPOUHY-YVNMAJEFSA-N
XLogP2.80
TPSA26.02 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine (CID 89222977) is 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine is CC(C)(CN)CC1CC2CC[C@H]1C2.
What is the InChIKey of 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine?
The InChIKey is XYPGPSOOOPOUHY-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,8-13)7-11-6-9-3-4-10(11)5-9/h9-11H,3-8,13H2,1-2H3/t9?,10-,11?/m0/s1.
What are the key properties of 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine?
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 89222977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).