bicyclo[2.2.1]heptane-2,5-diamine

C7H14N2 — CID 4169642

IUPACbicyclo[2.2.1]heptane-2,5-diamine
SMILESNC1CC2CC1CC2N
InChIInChI=1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2
InChIKeyKVMMOSKKPJEDNG-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.07
Rot. Bonds

About bicyclo[2.2.1]heptane-2,5-diamine

bicyclo[2.2.1]heptane-2,5-diamine (PubChem CID 4169642) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2,5-diamine.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2,5-diamine
PubChem CID4169642
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namebicyclo[2.2.1]heptane-2,5-diamine
SMILESNC1CC2CC1CC2N
InChIInChI=1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2
InChIKeyKVMMOSKKPJEDNG-UHFFFAOYSA-N
XLogP0.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2,5-diamine?
The IUPAC name of bicyclo[2.2.1]heptane-2,5-diamine (CID 4169642) is bicyclo[2.2.1]heptane-2,5-diamine.
What is the SMILES notation for bicyclo[2.2.1]heptane-2,5-diamine?
The canonical SMILES for bicyclo[2.2.1]heptane-2,5-diamine is NC1CC2CC1CC2N.
What is the InChIKey of bicyclo[2.2.1]heptane-2,5-diamine?
The InChIKey is KVMMOSKKPJEDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2.
What are the key properties of bicyclo[2.2.1]heptane-2,5-diamine?
bicyclo[2.2.1]heptane-2,5-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2,5-diamine is sourced from PubChem (CID 4169642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).