(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine

C7H14N2 — CID 11423598

IUPAC(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
SMILESN[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N
InChIInChI=1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2/t4-,5-,6+,7+/m1/s1
InChIKeyKVMMOSKKPJEDNG-JWXFUTCRSA-N
MW126.20 g/mol
LogP0.07
Rot. Bonds

About (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine

(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine (PubChem CID 11423598) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine.

Molecular Properties

Compound Name(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
PubChem CID11423598
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
SMILESN[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N
InChIInChI=1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2/t4-,5-,6+,7+/m1/s1
InChIKeyKVMMOSKKPJEDNG-JWXFUTCRSA-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 (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine?
The IUPAC name of (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine (CID 11423598) is (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine.
What is the SMILES notation for (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine?
The canonical SMILES for (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine is N[C@H]1C[C@H]2C[C@@H]1C[C@@H]2N.
What is the InChIKey of (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine?
The InChIKey is KVMMOSKKPJEDNG-JWXFUTCRSA-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/t4-,5-,6+,7+/m1/s1.
What are the key properties of (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine?
(1R,2S,4R,5S)-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 (1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine is sourced from PubChem (CID 11423598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).