(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine

C7H14N2 — CID 178194389

IUPAC(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine
SMILESNC1C[C@@H]2C[C@H](N)[C@@H]2C1
InChIInChI=1S/C7H14N2/c8-5-1-4-2-7(9)6(4)3-5/h4-7H,1-3,8-9H2/t4-,5?,6-,7+/m1/s1
InChIKeyDQLYPIDQNLQOKL-ZUMNNYEFSA-N
MW126.20 g/mol
LogP0.07
Rot. Bonds

About (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine

(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine (PubChem CID 178194389) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine.

Molecular Properties

Compound Name(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine
PubChem CID178194389
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine
SMILESNC1C[C@@H]2C[C@H](N)[C@@H]2C1
InChIInChI=1S/C7H14N2/c8-5-1-4-2-7(9)6(4)3-5/h4-7H,1-3,8-9H2/t4-,5?,6-,7+/m1/s1
InChIKeyDQLYPIDQNLQOKL-ZUMNNYEFSA-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,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine?
The IUPAC name of (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine (CID 178194389) is (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine.
What is the SMILES notation for (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine?
The canonical SMILES for (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine is NC1C[C@@H]2C[C@H](N)[C@@H]2C1.
What is the InChIKey of (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine?
The InChIKey is DQLYPIDQNLQOKL-ZUMNNYEFSA-N. The full InChI is InChI=1S/C7H14N2/c8-5-1-4-2-7(9)6(4)3-5/h4-7H,1-3,8-9H2/t4-,5?,6-,7+/m1/s1.
What are the key properties of (1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine?
(1R,5R,6S)-bicyclo[3.2.0]heptane-3,6-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,5R,6S)-bicyclo[3.2.0]heptane-3,6-diamine is sourced from PubChem (CID 178194389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).