(1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine

C9H15N — CID 99985490

IUPAC(1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine
SMILESC[C@]12CC[C@@H]3[C@@]1(C)C[C@]32N
InChIInChI=1S/C9H15N/c1-7-5-9(10)6(7)3-4-8(7,9)2/h6H,3-5,10H2,1-2H3/t6-,7-,8+,9+/m1/s1
InChIKeyIWSDYIJCXJOFIR-HXFLIBJXSA-N
MW137.23 g/mol
LogP1.52
Rot. Bonds

About (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine

(1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine (PubChem CID 99985490) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine.

Molecular Properties

Compound Name(1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine
PubChem CID99985490
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine
SMILESC[C@]12CC[C@@H]3[C@@]1(C)C[C@]32N
InChIInChI=1S/C9H15N/c1-7-5-9(10)6(7)3-4-8(7,9)2/h6H,3-5,10H2,1-2H3/t6-,7-,8+,9+/m1/s1
InChIKeyIWSDYIJCXJOFIR-HXFLIBJXSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine?
The IUPAC name of (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine (CID 99985490) is (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine.
What is the SMILES notation for (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine?
The canonical SMILES for (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine is C[C@]12CC[C@@H]3[C@@]1(C)C[C@]32N.
What is the InChIKey of (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine?
The InChIKey is IWSDYIJCXJOFIR-HXFLIBJXSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-9(10)6(7)3-4-8(7,9)2/h6H,3-5,10H2,1-2H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine?
(1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R)-2,6-dimethyltricyclo[3.2.0.02,6]heptan-1-amine is sourced from PubChem (CID 99985490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).