(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

C11H21N — CID 14891015

IUPAC(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILESCN[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1
InChIKeyTUBMCSVBLIVDLY-IQJOONFLSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds1

About (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 14891015) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
PubChem CID14891015
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILESCN[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1
InChIKeyTUBMCSVBLIVDLY-IQJOONFLSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine (CID 14891015) is (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine is CN[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is TUBMCSVBLIVDLY-IQJOONFLSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)8-5-6-11(3,7-8)9(10)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1.
What are the key properties of (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 14891015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).