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

C14H27N — CID 71511774

IUPAC(1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine
SMILESCCC1(CC)[C@@H]2CC[C@@H](C2)C1(CC)NC
InChIInChI=1S/C14H27N/c1-5-13(6-2)11-8-9-12(10-11)14(13,7-3)15-4/h11-12,15H,5-10H2,1-4H3/t11-,12+,14?/m1/s1
InChIKeyGSSWUAUXYFXJSX-RJTITELWSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds4

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

(1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine (PubChem CID 71511774) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine
PubChem CID71511774
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine
SMILESCCC1(CC)[C@@H]2CC[C@@H](C2)C1(CC)NC
InChIInChI=1S/C14H27N/c1-5-13(6-2)11-8-9-12(10-11)14(13,7-3)15-4/h11-12,15H,5-10H2,1-4H3/t11-,12+,14?/m1/s1
InChIKeyGSSWUAUXYFXJSX-RJTITELWSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine (CID 71511774) is (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine is CCC1(CC)[C@@H]2CC[C@@H](C2)C1(CC)NC.
What is the InChIKey of (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is GSSWUAUXYFXJSX-RJTITELWSA-N. The full InChI is InChI=1S/C14H27N/c1-5-13(6-2)11-8-9-12(10-11)14(13,7-3)15-4/h11-12,15H,5-10H2,1-4H3/t11-,12+,14?/m1/s1.
What are the key properties of (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine?
(1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2,3,3-triethyl-N-methylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 71511774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).