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

C11H21N — CID 10932563

IUPAC(1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILESCNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIInChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11?/m1/s1
InChIKeyIMYZQPCYWPFTAG-VFXVZZSQSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds1

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

(1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 10932563) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
PubChem CID10932563
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
SMILESCNC1(C)[C@H]2CC[C@H](C2)C1(C)C
InChIInChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11?/m1/s1
InChIKeyIMYZQPCYWPFTAG-VFXVZZSQSA-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 (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine (CID 10932563) is (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine is CNC1(C)[C@H]2CC[C@H](C2)C1(C)C.
What is the InChIKey of (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IMYZQPCYWPFTAG-VFXVZZSQSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11?/m1/s1.
What are the key properties of (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine?
(1S,4R)-N,2,3,3-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 (1S,4R)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 10932563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).