[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C9H18N2 — CID 59926141

IUPAC[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@@H]1CC2CC1[C@@H](CN)C2
InChIInChI=1S/C9H18N2/c10-4-7-1-6-2-8(5-11)9(7)3-6/h6-9H,1-5,10-11H2/t6?,7-,8+,9?
InChIKeyOTKFKCIRTBTDKK-VGKQMMLZSA-N
MW154.26 g/mol
LogP0.57
Rot. Bonds2

About [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 59926141) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID59926141
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNC[C@@H]1CC2CC1[C@@H](CN)C2
InChIInChI=1S/C9H18N2/c10-4-7-1-6-2-8(5-11)9(7)3-6/h6-9H,1-5,10-11H2/t6?,7-,8+,9?
InChIKeyOTKFKCIRTBTDKK-VGKQMMLZSA-N
XLogP0.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 161192187
[2-(aminomethyl)cyclopropyl]methanamine;dihydrochloride
CID 146026791
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
[(1R,2S,4R,5R)-5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 101007268
[(1R,2R)-2-bromocyclopropyl]methanamine
CID 178200198
2-aminoacetic acid;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174758101
[(1R,2S,4R,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
CID 15190122
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
(1S,2S,4S,6R)-6-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792026
ethane;[(3S)-3-fluoro-6-bicyclo[3.2.0]heptanyl]methanamine
CID 145337614
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 59926141) is [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NC[C@@H]1CC2CC1[C@@H](CN)C2.
What is the InChIKey of [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is OTKFKCIRTBTDKK-VGKQMMLZSA-N. The full InChI is InChI=1S/C9H18N2/c10-4-7-1-6-2-8(5-11)9(7)3-6/h6-9H,1-5,10-11H2/t6?,7-,8+,9?.
What are the key properties of [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 59926141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).