[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C9H18N2 — CID 54205638

IUPAC[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(CN)CC2CCC1C2
InChIInChI=1S/C9H18N2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8H,1-6,10-11H2
InChIKeyPSHAWGLEABCIRJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.71
Rot. Bonds2

About [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 54205638) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID54205638
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(CN)CC2CCC1C2
InChIInChI=1S/C9H18N2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8H,1-6,10-11H2
InChIKeyPSHAWGLEABCIRJ-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 54205638) is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1(CN)CC2CCC1C2.
What is the InChIKey of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is PSHAWGLEABCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h7-8H,1-6,10-11H2.
What are the key properties of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 54205638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).