2-azabicyclo[2.2.1]heptane-6,7-diamine

C6H13N3 — CID 175778826

IUPAC2-azabicyclo[2.2.1]heptane-6,7-diamine
SMILESNC1CC2CNC1C2N
InChIInChI=1S/C6H13N3/c7-4-1-3-2-9-6(4)5(3)8/h3-6,9H,1-2,7-8H2
InChIKeyKDFUSTALOTVYKK-UHFFFAOYSA-N
MW127.19 g/mol
LogP-1.37
Rot. Bonds

About 2-azabicyclo[2.2.1]heptane-6,7-diamine

2-azabicyclo[2.2.1]heptane-6,7-diamine (PubChem CID 175778826) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane-6,7-diamine.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane-6,7-diamine
PubChem CID175778826
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-azabicyclo[2.2.1]heptane-6,7-diamine
SMILESNC1CC2CNC1C2N
InChIInChI=1S/C6H13N3/c7-4-1-3-2-9-6(4)5(3)8/h3-6,9H,1-2,7-8H2
InChIKeyKDFUSTALOTVYKK-UHFFFAOYSA-N
XLogP-1.37
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane-6,7-diamine?
The IUPAC name of 2-azabicyclo[2.2.1]heptane-6,7-diamine (CID 175778826) is 2-azabicyclo[2.2.1]heptane-6,7-diamine.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane-6,7-diamine?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane-6,7-diamine is NC1CC2CNC1C2N.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane-6,7-diamine?
The InChIKey is KDFUSTALOTVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c7-4-1-3-2-9-6(4)5(3)8/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-azabicyclo[2.2.1]heptane-6,7-diamine?
2-azabicyclo[2.2.1]heptane-6,7-diamine has a molecular weight of 127.19 g/mol, XLogP of -1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane-6,7-diamine is sourced from PubChem (CID 175778826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).