[5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

C8H17N3 — CID 21301283

IUPAC[5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1CC2NC1CC2CN
InChIInChI=1S/C8H17N3/c9-3-5-1-7-6(4-10)2-8(5)11-7/h5-8,11H,1-4,9-10H2
InChIKeyRIVCRTDIJPOKJN-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.73
Rot. Bonds2

About [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

[5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 21301283) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID21301283
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name[5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1CC2NC1CC2CN
InChIInChI=1S/C8H17N3/c9-3-5-1-7-6(4-10)2-8(5)11-7/h5-8,11H,1-4,9-10H2
InChIKeyRIVCRTDIJPOKJN-UHFFFAOYSA-N
XLogP-0.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (CID 21301283) is [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1CC2NC1CC2CN.
What is the InChIKey of [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is RIVCRTDIJPOKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-3-5-1-7-6(4-10)2-8(5)11-7/h5-8,11H,1-4,9-10H2.
What are the key properties of [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
[5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 155.24 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 21301283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).