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

C11H21N — CID 91355688

IUPAC(1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
SMILESCN[C@@H]1CC2C[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-/m1/s1
InChIKeyKUNCCMAQTBTWDW-GHBZHPFISA-N
MW167.30 g/mol
LogP2.28
Rot. Bonds1

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

(1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 91355688) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
PubChem CID91355688
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
SMILESCN[C@@H]1CC2C[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-/m1/s1
InChIKeyKUNCCMAQTBTWDW-GHBZHPFISA-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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Related Compounds

(-)-Isopinocampheylamine
CID 11744832
(+)-Isopinocampheylamine
CID 20598745
(1R,2R,3R,5S)-2,6,6-trimethyl-N-propan-2-ylbicyclo[3.1.1]heptan-3-amine
CID 51032068
2,6,6-Trimethyl-bicyclo(3.1.1)hept-3-ylamine
CID 426589
N-cyclooctyl-N'-[(1R,2R,3R,5S)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine
CID 6476772
(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
CID 51032063
(1R,2R,3R,5S)-N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
CID 51032065
(1R,2R,3R,5S)-N-(cyclopropylmethyl)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
CID 51032069
(1R,2R,3R,5S)-N-cyclohexyl-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
CID 51032071
(1R,2R,3R,5S)-(-)-Isopinocampheylamine
CID 12173149
N'-(2,3-dimethylcyclohexyl)-N-[[(1S,2R,3S,5S)-3,6,6-trimethylnorpinan-2-yl]methyl]ethane-1,2-diamine
CID 6482263
N-cyclooctyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine
CID 16076326

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine (CID 91355688) is (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine is CN[C@@H]1CC2C[C@H]([C@H]1C)C2(C)C.
What is the InChIKey of (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is KUNCCMAQTBTWDW-GHBZHPFISA-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-/m1/s1.
What are the key properties of (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine?
(1R,2R,3R)-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 (1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 91355688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).