(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine

C11H21N — CID 99644516

IUPAC(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
SMILESCN[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
InChIInChI=1S/C11H21N/c1-7-9-5-8(11(9,2)3)6-10(7)12-4/h7-10,12H,5-6H2,1-4H3/t7-,8+,9-,10-/m0/s1
InChIKeyKUNCCMAQTBTWDW-JXUBOQSCSA-N
MW167.30 g/mol
LogP2.28
Rot. Bonds1

About (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine

(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 99644516) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
PubChem CID99644516
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
SMILESCN[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
InChIInChI=1S/C11H21N/c1-7-9-5-8(11(9,2)3)6-10(7)12-4/h7-10,12H,5-6H2,1-4H3/t7-,8+,9-,10-/m0/s1
InChIKeyKUNCCMAQTBTWDW-JXUBOQSCSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine (CID 99644516) is (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine is CN[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C.
What is the InChIKey of (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is KUNCCMAQTBTWDW-JXUBOQSCSA-N. The full InChI is InChI=1S/C11H21N/c1-7-9-5-8(11(9,2)3)6-10(7)12-4/h7-10,12H,5-6H2,1-4H3/t7-,8+,9-,10-/m0/s1.
What are the key properties of (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 99644516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).