[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine

C11H22N2 — CID 122645180

IUPAC[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCC1C(C)C2CC1C(CN)C2CN
InChIInChI=1S/C11H22N2/c1-6-7(2)9-3-8(6)10(4-12)11(9)5-13/h6-11H,3-5,12-13H2,1-2H3
InChIKeyORMYRNIGXILEOK-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.06
Rot. Bonds2

About [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine

[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 122645180) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID122645180
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCC1C(C)C2CC1C(CN)C2CN
InChIInChI=1S/C11H22N2/c1-6-7(2)9-3-8(6)10(4-12)11(9)5-13/h6-11H,3-5,12-13H2,1-2H3
InChIKeyORMYRNIGXILEOK-UHFFFAOYSA-N
XLogP1.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine (CID 122645180) is [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine is CC1C(C)C2CC1C(CN)C2CN.
What is the InChIKey of [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is ORMYRNIGXILEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7(2)9-3-8(6)10(4-12)11(9)5-13/h6-11H,3-5,12-13H2,1-2H3.
What are the key properties of [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine?
[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 122645180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).