(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine

C7H13N — CID 125040803

IUPAC(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
SMILESN[C@@H]1CC[C@@H]2C[C@H]2C1
InChIInChI=1S/C7H13N/c8-7-2-1-5-3-6(5)4-7/h5-7H,1-4,8H2/t5-,6+,7-/m1/s1
InChIKeyUFGBMEFPOGIKLC-DSYKOEDSSA-N
MW111.19 g/mol
LogP1.13
Rot. Bonds

About (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine

(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine (PubChem CID 125040803) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine.

Molecular Properties

Compound Name(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
PubChem CID125040803
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
SMILESN[C@@H]1CC[C@@H]2C[C@H]2C1
InChIInChI=1S/C7H13N/c8-7-2-1-5-3-6(5)4-7/h5-7H,1-4,8H2/t5-,6+,7-/m1/s1
InChIKeyUFGBMEFPOGIKLC-DSYKOEDSSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine?
The IUPAC name of (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine (CID 125040803) is (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine.
What is the SMILES notation for (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine?
The canonical SMILES for (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine is N[C@@H]1CC[C@@H]2C[C@H]2C1.
What is the InChIKey of (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine?
The InChIKey is UFGBMEFPOGIKLC-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H13N/c8-7-2-1-5-3-6(5)4-7/h5-7H,1-4,8H2/t5-,6+,7-/m1/s1.
What are the key properties of (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine?
(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine has a molecular weight of 111.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine is sourced from PubChem (CID 125040803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).