(1R,2S)-bicyclo[2.2.1]heptan-2-amine

C7H13N — CID 12720686

IUPAC(1R,2S)-bicyclo[2.2.1]heptan-2-amine
SMILESN[C@H]1CC2CC[C@@H]1C2
InChIInChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5?,6-,7+/m1/s1
InChIKeyJEPPYVOSGKWVSJ-FWPZAIACSA-N
MW111.19 g/mol
LogP1.13
Rot. Bonds

About (1R,2S)-bicyclo[2.2.1]heptan-2-amine

(1R,2S)-bicyclo[2.2.1]heptan-2-amine (PubChem CID 12720686) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1R,2S)-bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S)-bicyclo[2.2.1]heptan-2-amine
PubChem CID12720686
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1R,2S)-bicyclo[2.2.1]heptan-2-amine
SMILESN[C@H]1CC2CC[C@@H]1C2
InChIInChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5?,6-,7+/m1/s1
InChIKeyJEPPYVOSGKWVSJ-FWPZAIACSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S)-bicyclo[2.2.1]heptan-2-amine (CID 12720686) is (1R,2S)-bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S)-bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S)-bicyclo[2.2.1]heptan-2-amine is N[C@H]1CC2CC[C@@H]1C2.
What is the InChIKey of (1R,2S)-bicyclo[2.2.1]heptan-2-amine?
The InChIKey is JEPPYVOSGKWVSJ-FWPZAIACSA-N. The full InChI is InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5?,6-,7+/m1/s1.
What are the key properties of (1R,2S)-bicyclo[2.2.1]heptan-2-amine?
(1R,2S)-bicyclo[2.2.1]heptan-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 12720686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).